Cas no 100004-79-3 (3-(3-methylphenyl)pyridine-4-carboxylic Acid)
3-(3-Methylphenyl)pyridine-4-carboxylic acid is a heterocyclic organic compound featuring a pyridine core substituted with a 3-methylphenyl group at the 3-position and a carboxylic acid moiety at the 4-position. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceutical and agrochemical research. The carboxylic acid group enables further functionalization through amidation, esterification, or metal-catalyzed coupling reactions, while the methylphenyl substituent enhances lipophilicity, influencing bioavailability and binding affinity. Its well-defined molecular architecture makes it valuable for constructing complex scaffolds in medicinal chemistry. The compound is typically characterized by high purity and stability, ensuring consistent performance in demanding synthetic workflows.
100004-79-3 structure
Product Name:3-(3-methylphenyl)pyridine-4-carboxylic Acid
CAS No:100004-79-3
MF:C13H11NO2
MW:213.231943368912
MDL:MFCD18207559
CID:1124193
PubChem ID:13433024
Update Time:2025-06-07
3-(3-methylphenyl)pyridine-4-carboxylic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(3-methylphenyl)pyridine-4-carboxylic Acid
- 100004-79-3
- 3-(m-Tolyl)isonicotinic acid
- W18148
- 3-(3-METHYLPHENYL)ISONICOTINIC ACID
- AS-67061
- CS-0061082
- 4-Pyridinecarboxylic acid, 3-(3-methylphenyl)-
- Z1295607457
- DTXSID90540642
- 3-(m-Tolyl)isonicotinicacid
- MFCD18207559
- AKOS015157174
-
- MDL： MFCD18207559
- Inchi： 1S/C13H11NO2/c1-9-3-2-4-10(7-9)12-8-14-6-5-11(12)13(15)16/h2-8H,1H3,(H,15,16)
- InChI Key： JPYJKCJVVYAAMS-UHFFFAOYSA-N
- SMILES： OC(C1C=CN=CC=1C1C=CC=C(C)C=1)=O
Computed Properties
- Exact Mass: 213.07903
- Monoisotopic Mass: 213.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 2.4
- Topological Polar Surface Area: 50.2?2
Experimental Properties
- PSA: 50.19
3-(3-methylphenyl)pyridine-4-carboxylic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D771699-1g |
4-Pyridinecarboxylic acid, 3-(3-methylphenyl)- |
100004-79-3 | 95% | 1g |
$320 | 2023-09-02 | |
| A2B Chem LLC | AI04762-1g |
3-(m-Tolyl)isonicotinic acid |
100004-79-3 | 95% | 1g |
$166.00 | 2024-01-05 | |
| Aaron | AR00H9T2-250mg |
4-Pyridinecarboxylic acid, 3-(3-methylphenyl)- |
100004-79-3 | 95% | 250mg |
$500.00 | 2025-01-24 | |
| Aaron | AR00H9T2-1g |
4-Pyridinecarboxylic acid, 3-(3-methylphenyl)- |
100004-79-3 | 95% | 1g |
$800.00 | 2025-01-24 | |
| A2B Chem LLC | AI04762-1mg |
3-(m-Tolyl)isonicotinic acid |
100004-79-3 | 1mg |
$73.00 | 2024-04-20 | ||
| A2B Chem LLC | AI04762-2mg |
3-(m-Tolyl)isonicotinic acid |
100004-79-3 | 2mg |
$86.00 | 2024-04-20 | ||
| A2B Chem LLC | AI04762-3mg |
3-(m-Tolyl)isonicotinic acid |
100004-79-3 | 3mg |
$105.00 | 2024-04-20 | ||
| A2B Chem LLC | AI04762-5mg |
3-(m-Tolyl)isonicotinic acid |
100004-79-3 | 5mg |
$118.00 | 2024-04-20 | ||
| A2B Chem LLC | AI04762-10mg |
3-(m-Tolyl)isonicotinic acid |
100004-79-3 | 10mg |
$135.00 | 2024-04-20 | ||
| 1PlusChem | 1P00H9KQ-1g |
4-Pyridinecarboxylic acid, 3-(3-methylphenyl)- |
100004-79-3 | 95% | 1g |
$168.00 | 2023-12-27 |
3-(3-methylphenyl)pyridine-4-carboxylic Acid Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
100004-79-3 (3-(3-methylphenyl)pyridine-4-carboxylic Acid) Related Products
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