chempirical

5-Cyanopicolinic acid

C7H4N2O2CAS 53234-55-2148.12 g/mol

Open in Covalent MOL file
NOOHN
Carboxylic acidNitrile

Properties

Molecular formula
C7H4N2O2
Molar mass
148.12 g/mol
Exact mass
148.0273 Da
Melting point
220 °C
logP
0.65Crippen estimate
Polar surface area
74.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
53234-55-2
SMILES
N#Cc1ccc(C(=O)O)nc1
InChIKey
HRLVPHGCEGTVLK-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N2O2/c8-3-5-1-2-6(7(10)11)9-4-5/h1-2,4H,(H,10,11)

Weigh it out

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

Names and synonyms

3 names
  • 2-Pyridinecarboxylic acid, 5-cyano-
  • 5-Cyano-2-pyridinecarboxylic acid
  • 5-Cyanopicoliniic acid

Work with 5-Cyanopicolinic 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

2,5-Pyridinedicarboxylic acid100-26-556 % similar 4-Cyanobenzoic acid619-65-856 % similar 5-Fluoropyridine-2-carboxylic acid107504-08-553 % similar 5-Aminopicolinic acid24242-20-453 % similar 2,5-Pyrazinedicarboxylic acid122-05-452 % similar 5-Ethylpicolinic acid770-08-149 % similar 5-(Trifluoromethyl)pyridine-2-carboxylic acid80194-69-049 % similar Picolinic acid98-98-649 % 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 2-Nitrobenzonitrile612-24-8 3-Nitrobenzonitrile619-24-9 4-Nitrobenzonitrile619-72-7

Elsewhere

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