5-cyano-3-pyridinecarboxylic acid - CAS 887579-62-6
Catalog: |
BB039180 |
Product Name: |
5-cyano-3-pyridinecarboxylic acid |
CAS: |
887579-62-6 |
Synonyms: |
5-cyano-3-pyridinecarboxylic acid; 5-cyanopyridine-3-carboxylic acid |
IUPAC Name: | 5-cyanopyridine-3-carboxylic acid |
Description: | 5-cyano-3-pyridinecarboxylic acid (CAS# 887579-62-6) is a useful reagent for the preparation of substituted cyclobutylpyridine and cyclobutylpyrimidine compounds as indoleamine 2,3-dioxygenase inhibitors. |
Molecular Weight: | 148.12 |
Molecular Formula: | C7H4N2O2 |
Canonical SMILES: | C1=C(C=NC=C1C(=O)O)C#N |
InChI: | InChI=1S/C7H4N2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,3-4H,(H,10,11) |
InChI Key: | YLVWEUCOZIMGPV-UHFFFAOYSA-N |
Boiling Point: | 352.574 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.425 g/cm3 |
Appearance: | Solid |
LogP: | 0.65148 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
WO-2020166680-A1 | 7h-pyrrolo[2,3-d]pyrimidine-4-amine derivative | 20190215 |
TW-202045509-A | 7H-pyrrolo[2,3-d]pyrimidin-4-amine derivative | 20190215 |
KR-20210116598-A | 7H-pyrrolo[2,3-d]pyrimidin-4-amine derivatives | 20190215 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.027277375 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.027277375 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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