chempirical

6-Cyanonicotinic acid

C7H4N2O2CAS 70165-31-0148.12 g/mol

Open in Covalent MOL file
NOHON
Carboxylic acidNitrile

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
70165-31-0
SMILES
C1=CC(=NC=C1C(=O)O)C#N
InChIKey
WMHSQCDPPJRWIL-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N2O2/c8-3-6-2-1-5(4-9-6)7(10)11/h1-2,4H,(H,10,11)

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Names and synonyms

1 names
  • 6-Cyanopyridine-3-carboxylic acid

Work with 6-Cyanonicotinic 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

[2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-858 % similar Methyl 6-cyanopyridine-3-carboxylate89809-65-456 % similar 2,5-Pyridinedicarboxylic acid100-26-556 % similar 4-Cyanobenzoic acid619-65-856 % similar 6-Fluoronicotinic acid403-45-254 % similar 6-Hydroxynicotinic acid5006-66-654 % similar 6,6′-Dithiodinicotinic acid15658-35-253 % similar 6-Methylpyridine-3-carboxylic acid3222-47-753 % similar

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

Same formula

2-Cyanoisonicotinic acid161233-97-2 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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