≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Methyl 3-isoquinolinecarboxylate was used in the preparation of 3-acetylisoquinoline.
| Pubchem Sid | 504759998 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759998 |
| Canonical Smiles | COC(=O)C1=CC2=CC=CC=C2C=N1 |
| IUPAC Name | methyl isoquinoline-3-carboxylate |
| InChIKey | ZBCGBIZQNMVMPC-UHFFFAOYSA-N |
| INCHI | 1S/C11H9NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3 |
| Isomeric SMILES | COC(=O)C1=CC2=CC=CC=C2C=N1 |
| WGK Germany | 3 |
| Molecular Weight | 187.2 |
| Beilstein | 473630 |
| Reaxy-Rn | 473630 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473630&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 | Pyridinecarboxylic acids Benzenoids Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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 |
|---|---|---|---|
 K1823116 | Certificate of Analysis | Jun 15, 2026 | M123609 |
| K1823115 | Certificate of Analysis | Jun 15, 2026 | M123609 |
| I1410040 | Certificate of Analysis | Apr 15, 2026 | M123609 |
| G2209189 | Certificate of Analysis | Apr 07, 2026 | M123609 |
| G2209194 | Certificate of Analysis | Apr 07, 2026 | M123609 |
| G2209196 | Certificate of Analysis | Apr 07, 2026 | M123609 |
| L2405171 | Certificate of Analysis | Dec 11, 2024 | M123609 |
| K1823114 | Certificate of Analysis | Sep 16, 2022 | M123609 |
| L2405173 | Certificate of Analysis | Jun 08, 2022 | M123609 |
| Melt Point(°C) | 86-88°C |
|---|---|
| Molecular Weight | 187.190 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 187.063 Da |
| Monoisotopic Mass | 187.063 Da |
| Topological Polar Surface Area | 39.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 217.000 |
| 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 |
