- Preparation of substituted tetrahydroisoquinolines as PRMT5 inhibitors, World Intellectual Property Organization, , ,
Cas no 951030-56-1 (2-Chloro-5-methyl-isonicotinic acid)
951030-56-1 structure
Product Name:2-Chloro-5-methyl-isonicotinic acid
CAS No:951030-56-1
MF:C7H6ClNO2
MW:171.581040859222
MDL:MFCD13188984
CID:1122900
PubChem ID:72212063
Update Time:2024-10-25
2-Chloro-5-methyl-isonicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-5-methyl-4-Pyridinecarboxylic acid
- 2-chloro-5-methylpyridine-4-carboxylic acid
- 2-Chloro-5-methyl-4-pyridinecarboxylic acid (ACI)
- 2-Chloro-5-methylisonicotinic acid
- 2-Chloro-5-methyl-isonicotinic acid
- 2-CHLORO-5-METHYLISONICOTINICACID
- SY197710
- EN300-94769
- BNB03056
- Z1255420966
- AT21681
- MFCD13188984
- DB-088862
- 951030-56-1
- CS-0148840
- BS-49970
- AB67501
- SCHEMBL18068216
-
- MDL: MFCD13188984
- Inchi: 1S/C7H6ClNO2/c1-4-3-9-6(8)2-5(4)7(10)11/h2-3H,1H3,(H,10,11)
- InChI Key: RFDAKGNAGCNTEI-UHFFFAOYSA-N
- SMILES: O=C(C1C(C)=CN=C(Cl)C=1)O
Computed Properties
- Exact Mass: 171.0087061g/mol
- Monoisotopic Mass: 171.0087061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 163
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 50.2?2
2-Chloro-5-methyl-isonicotinic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C993758-5mg |
2-Chloro-5-methyl-isonicotinic acid |
951030-56-1 | 5mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C993758-10mg |
2-Chloro-5-methyl-isonicotinic acid |
951030-56-1 | 10mg |
$ 95.00 | 2022-06-06 | ||
| TRC | C993758-50mg |
2-Chloro-5-methyl-isonicotinic acid |
951030-56-1 | 50mg |
$ 320.00 | 2022-06-06 | ||
| eNovation Chemicals LLC | Y1050852-1g |
2-Chloro-5-methylisonicotinic acid |
951030-56-1 | 95% | 1g |
$965 | 2024-07-28 | |
| eNovation Chemicals LLC | Y1050852-5g |
2-Chloro-5-methylisonicotinic acid |
951030-56-1 | 95% | 5g |
$2865 | 2024-07-28 | |
| Bestfluorodrug | YFA00005-1.0g |
2-chloro-5-methylisonicotinic acid |
951030-56-1 | 97% | 1.0g |
¥996 | 2023-01-04 | |
| Bestfluorodrug | YFA00005-5.0g |
2-chloro-5-methylisonicotinic acid |
951030-56-1 | 97% | 5.0g |
¥3600 | 2023-01-04 | |
| Bestfluorodrug | YFA00005-10.0g |
2-chloro-5-methylisonicotinic acid |
951030-56-1 | 97% | 10.0g |
¥6300 | 2023-01-04 | |
| eNovation Chemicals LLC | Y1111208-1g |
2-Chloro-5-methylpyridine-4-carboxylic acid |
951030-56-1 | 95% | 1g |
$650 | 2024-06-05 | |
| Enamine | EN300-94769-0.05g |
2-chloro-5-methylpyridine-4-carboxylic acid |
951030-56-1 | 95.0% | 0.05g |
$35.0 | 2025-02-21 |
2-Chloro-5-methyl-isonicotinic acid Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Magnesate(1-), dichloro(1-methylethyl)-, lithium (1:1) Solvents: Tetrahydrofuran ; 0 °C; 1 h, 22 °C
1.2 40 min, 1 atm, 22 °C
1.3 Solvents: Water
1.4 Reagents: Hydrochloric acid Solvents: Water ; pH 5
1.2 40 min, 1 atm, 22 °C
1.3 Solvents: Water
1.4 Reagents: Hydrochloric acid Solvents: Water ; pH 5
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran , Water ; 2 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified, rt
Reference
- Tetrazole containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof, World Intellectual Property Organization, , ,
2-Chloro-5-methyl-isonicotinic acid Raw materials
2-Chloro-5-methyl-isonicotinic acid Preparation Products
2-Chloro-5-methyl-isonicotinic acid Related Literature
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
951030-56-1 (2-Chloro-5-methyl-isonicotinic acid) Related Products
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- 133928-73-1(2-Chloro-3-methylisonicotinic acid)
- 1256835-40-1(2,6-dichloro-3-methylisonicotinic acid)
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- 6313-54-8(2-chloropyridine-4-carboxylic acid)
- 5326-23-8(6-chloropyridine-3-carboxylic acid)
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