chempirical

5-Hydroxy-3-methylpyridine-2-carbonitrile

C7H6N2OCAS 228867-86-5134.14 g/mol

Open in Covalent MOL file
NNOH
NitrilePhenol

Properties

Molecular formula
C7H6N2O
Molar mass
134.14 g/mol
Exact mass
134.0480 Da
logP
0.97Crippen estimate
Polar surface area
56.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

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
228867-86-5
SMILES
CC1=CC(=CN=C1C#N)O
InChIKey
VFQZBTDFJLSQCM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O/c1-5-2-6(10)4-9-7(5)3-8/h2,4,10H,1H3

Weigh it out

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Work with 5-Hydroxy-3-methylpyridine-2-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

5-Bromo-3-methylpyridine-2-carbonitrile156072-86-559 % similar 4-Hydroxy-2,6-dimethylbenzonitrile58537-99-853 % similar 3-Methyl-2-pyridinecarbonitrile20970-75-646 % similar 5-Hydroxypyridine-3-carbonitrile152803-24-243 % similar 2-Cyano-5-hydroxypyridine86869-14-943 % similar 3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-841 % similar 3,4-Xylenol95-65-841 % similar 4-Hydroxy-3,5-dimethylbenzonitrile4198-90-740 % similar

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

Same formula

1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-5 1H-Indazol-5-ol15579-15-4 2-Methoxy-5-pyridinecarbonitrile15871-85-9 1,3-Benzoxazol-6-amine177492-52-3 1H-Indazol-6-ol23244-88-4 1,3-Dihydro-2H-pyrrolo[3,2-b]pyridin-2-one32501-05-6 3-Amino-1,2-benzisoxazole36216-80-5 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-4

Elsewhere

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