Cas no 1256794-71-4 (3-Chloroisoquinoline-6-carboxylic acid)
3-Chloroisoquinoline-6-carboxylic acid is a versatile heterocyclic building block with applications in pharmaceutical and agrochemical research. Its structure combines a chlorinated isoquinoline core with a carboxylic acid functional group, enabling diverse derivatization for drug discovery and material synthesis. The chlorine substituent enhances reactivity for cross-coupling reactions, while the carboxylic acid group facilitates further functionalization through amidation or esterification. This compound is particularly valuable in medicinal chemistry for developing bioactive molecules due to its rigid aromatic scaffold and modifiable sites. High purity grades are available to ensure reproducibility in synthetic workflows. Suitable for use under standard laboratory conditions with proper handling precautions.
1256794-71-4 structure
Product Name:3-Chloroisoquinoline-6-carboxylic acid
CAS No:1256794-71-4
MF:C10H6ClNO2
MW:207.613141536713
MDL:MFCD18260383
CID:1218365
PubChem ID:75412036
Update Time:2025-06-26
3-Chloroisoquinoline-6-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-chloro-6-isoquinolinecarboxylic Acid
- MFCD18260383
- 3-Chloroisoquinoline-6-carboxylicacid
- ZB0433
- 6-Isoquinolinecarboxylic acid, 3-chloro-
- CS-0210671
- XYHYBNUDOGWNRA-UHFFFAOYSA-N
- 1256794-71-4
- EN300-322118
- AKOS027254330
- 3-Chloroisoquinoline-6-carboxylic acid
- SCHEMBL15507160
- AS-40887
- DB-357029
-
- MDL： MFCD18260383
- Inchi： 1S/C10H6ClNO2/c11-9-4-8-3-6(10(13)14)1-2-7(8)5-12-9/h1-5H,(H,13,14)
- InChI Key： XYHYBNUDOGWNRA-UHFFFAOYSA-N
- SMILES： ClC1=CC2C=C(C(=O)O)C=CC=2C=N1
Computed Properties
- Exact Mass: 207.0087061g/mol
- Monoisotopic Mass: 207.0087061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 234
- 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: 2.6
- Topological Polar Surface Area: 50.2?2
3-Chloroisoquinoline-6-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C186350-25mg |
3-Chloroisoquinoline-6-carboxylic acid |
1256794-71-4 | 25mg |
$ 125.00 | 2022-06-06 | ||
| TRC | C186350-50mg |
3-Chloroisoquinoline-6-carboxylic acid |
1256794-71-4 | 50mg |
$ 205.00 | 2022-06-06 | ||
| Alichem | A189009437-250mg |
3-Chloroisoquinoline-6-carboxylic acid |
1256794-71-4 | 95% | 250mg |
$618.00 | 2023-09-03 | |
| Alichem | A189009437-1g |
3-Chloroisoquinoline-6-carboxylic acid |
1256794-71-4 | 95% | 1g |
$1605.00 | 2023-09-03 | |
| Apollo Scientific | OR300082-250mg |
3-Chloroisoquinoline-6-carboxylic acid |
1256794-71-4 | 250mg |
￡120.00 | 2025-02-19 | ||
| Apollo Scientific | OR300082-1g |
3-Chloroisoquinoline-6-carboxylic acid |
1256794-71-4 | 1g |
￡360.00 | 2025-02-19 | ||
| Chemenu | CM111326-1g |
3-chloroisoquinoline-6-carboxylic acid |
1256794-71-4 | 95% | 1g |
$*** | 2023-04-03 | |
| eNovation Chemicals LLC | Y1264048-250mg |
6-Isoquinolinecarboxylic acid, 3-chloro- |
1256794-71-4 | 95% | 250mg |
$1105 | 2024-06-08 | |
| Enamine | EN300-322118-0.05g |
3-chloroisoquinoline-6-carboxylic acid |
1256794-71-4 | 95.0% | 0.05g |
$1464.0 | 2025-03-19 | |
| Enamine | EN300-322118-0.1g |
3-chloroisoquinoline-6-carboxylic acid |
1256794-71-4 | 95.0% | 0.1g |
$1533.0 | 2025-03-19 |
3-Chloroisoquinoline-6-carboxylic acid Related Literature
-
Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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