2-Cyanoisonicotinic acid

C₇H₄N₂O₂CAS 161233-97-2148.12 g/mol

Open in Covalent MOL file

Carboxylic acid Nitrile

Properties

Molecular formula: C₇H₄N₂O₂
Molar mass: 148.12 g/mol
Exact mass: 148.0273 Da
logP: 0.65Crippen estimate
Polar surface area: 74.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

161233-97-2

SMILES

C1=CN=C(C=C1C(=O)O)C#N

InChIKey

MPSVJNPESHZCIB-UHFFFAOYSA-N

InChI

InChI=1S/C7H4N2O2/c8-4-6-3-5(7(10)11)1-2-9-6/h1-3H,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Cyano-4-pyridine carboxylic acid

Work with 2-Cyanoisonicotinic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lutidinic acid499-80-957 % similar 2-Fluoroisonicotinic acid402-65-356 % similar 2-Chloroisonicotinic acid6313-54-854 % similar [2,2′-Bipyridine]-4-carboxylic acid1748-89-654 % similar 3-Cyanobenzoic acid1877-72-153 % similar 2-(Trifluoromethyl)isonicotinic acid131747-41-650 % similar 4-Cyanobenzoic acid619-65-850 % similar 4′-Methyl[2,2′-bipyridine]-4-carboxylic acid103946-54-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,1,3-Benzoxadiazole-4-carboxaldehyde32863-32-4 5H-Pyrrolo[3,4-B]pyridine-5,7(6H)-dione4664-00-0 5-Cyanopicolinic acid53234-55-2 2-Nitrobenzonitrile612-24-8 3-Nitrobenzonitrile619-24-9 4-Nitrobenzonitrile619-72-7

Elsewhere

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