6-Cyanopyridine-3-carboxylic acid - CAS 70165-31-0
Catalog: |
BB034087 |
Product Name: |
6-Cyanopyridine-3-carboxylic acid |
CAS: |
70165-31-0 |
Synonyms: |
6-cyanopyridine-3-carboxylic acid |
IUPAC Name: | 6-cyanopyridine-3-carboxylic acid |
Description: | 6-Cyanopyridine-3-carboxylic acid (CAS# 70165-31-0) is a useful research chemical. |
Molecular Weight: | 148.12 |
Molecular Formula: | C7H4N2O2 |
Canonical SMILES: | C1=CC(=NC=C1C(=O)O)C#N |
InChI: | InChI=1S/C7H4N2O2/c8-3-6-2-1-5(4-9-6)7(10)11/h1-2,4H,(H,10,11) |
InChI Key: | WMHSQCDPPJRWIL-UHFFFAOYSA-N |
Boiling Point: | 395.9 ℃ at 760 mmHg |
Density: | 1.42 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01318135 |
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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111393447-A | Pyrimidopyrazole compound, and preparation method and application thereof | 20200514 |
CN-111393447-B | Pyrimidopyrazole compound, and preparation method and application thereof | 20200514 |
CN-111393415-A | Heteroaromatic nitrile compound and application thereof | 20200430 |
CN-111393415-B | Heteroaromatic nitrile compound and application thereof | 20200430 |
EP-3782997-A1 | Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases | 20190819 |
PMID | Publication Date | Title | Journal |
21582366 | 20090325 | Bis[μ-5-(5-carboxyl-ato-3-pyrid-yl)tetra-zolato-κN,N:N]bis-[triaqua-zinc(II)] | Acta crystallographica. Section E, Structure reports online |
21582330 | 20090311 | Diaqua-bis[5-(5-carboxy-2-pyridyl)tetra-zolato-κN,N]cadmium(II) dihydrate | Acta crystallographica. Section E, Structure reports online |
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: | 0.4 |
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