≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC2=C(C=CN=C2)C=C1C(=O)O |
|---|---|
| IUPAC Name | isoquinoline-6-carboxylic acid |
| InChIKey | ADAHADRJWVCICR-UHFFFAOYSA-N |
| INCHI | 1S/C10H7NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-6H,(H,12,13) |
| Isomeric SMILES | C1=CC2=C(C=CN=C2)C=C1C(=O)O |
| Molecular Weight | 173.17 |
| Reaxy-Rn | 126549 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126549&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoquinolines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolines and derivatives |
| Alternative Parents | Pyridines and derivatives Benzenoids Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2619075 | Certificate of Analysis | Jun 12, 2024 | I179119 |
| I2418260 | Certificate of Analysis | Jun 12, 2024 | I179119 |
| I2418261 | Certificate of Analysis | Jun 12, 2024 | I179119 |
| I2418262 | Certificate of Analysis | Jun 12, 2024 | I179119 |
| I2418263 | Certificate of Analysis | Jun 12, 2024 | I179119 |
| I2418264 | Certificate of Analysis | Jun 12, 2024 | I179119 |
| I2418278 | Certificate of Analysis | Jun 12, 2024 | I179119 |
| Molecular Weight | 173.170 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 173.048 Da |
| Monoisotopic Mass | 173.048 Da |
| Topological Polar Surface Area | 50.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Zheng Liu, Jun-Jie Fang, Zhi-Yi Wang, Yun-Peng Xie, Xing Lu. (2024) Structural diversity of copper(I) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands. Nanoscale, 16 (38): (17817-17824). [PMID:39240170] [10.1039/D4NR02543A] |
