chempirical

5-Hydroxypyridine-3-carbonitrile

C6H4N2OCAS 152803-24-2120.11 g/mol

Open in Covalent MOL file
NHON
NitrilePhenol

Properties

Molecular formula
C6H4N2O
Molar mass
120.11 g/mol
Exact mass
120.0324 Da
logP
0.66Crippen estimate
Polar surface area
56.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
152803-24-2
SMILES
C1=C(C=NC=C1O)C#N
InChIKey
KAXIYYPIORYZLB-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O/c7-2-5-1-6(9)4-8-3-5/h1,3-4,9H

Weigh it out

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

Names and synonyms

1 names
  • 3-Pyridinecarbonitrile,5-hydroxy-(9ci)

Work with 5-Hydroxypyridine-3-carbonitrile

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

3,5-Dihydroxybenzonitrile19179-36-358 % similar 5-Methyl-3-pyridinecarbonitrile42885-14-353 % similar 5-Fluoro-3-pyridinecarbonitrile696-42-453 % similar 3-Cyanophenol873-62-152 % similar 3-Chloro-5-hydroxybenzonitrile473923-97-647 % similar 4-Cyanophenol767-00-046 % similar 5-Chloro-3-pyridinol74115-12-143 % similar Nicotinonitrile100-54-942 % similar

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

Same formula

4-Cyanopyridine N-oxide14906-59-3 3-Cyanopyridine 1-oxide14906-64-0 3-Cyano-2-pyridone20577-27-9 2,1,3-Benzoxadiazole273-09-6 3-Hydroxy-2-pyridinecarbonitrile932-35-4 1,6-Dihydro-6-oxo-3-pyridinecarbonitrile94805-52-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook