Isoxazolo[5,4-B]pyridin-3-ol

C₆H₄N₂O₂CAS 16880-54-9136.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄N₂O₂
Molar mass: 136.11 g/mol
Exact mass: 136.0273 Da
logP: 0.52Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

16880-54-9

SMILES

C1=CC2=C(N=C1)ONC2=O

InChIKey

VHMSVJIBCHFSKU-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2O2/c9-5-4-2-1-3-7-6(4)10-8-5/h1-3H,(H,8,9)

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

Work with Isoxazolo[5,4-B]pyridin-3-ol

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

4-Hydroxypyrido (2,3-d)pyrimidine24410-19-344 % similar 5H-Pyrido(3,2-b)indole245-08-936 % similar Benzofuro[2,3-B]pyridin-8-ol1609373-91-235 % similar 7-Azaindole-3-carboxaldehyde4649-09-635 % similar Quinoline-5-carboxaldehyde22934-41-433 % similar 9H-Pyrido[2,3-b]indole244-76-832 % similar 5,6-Diamino-1,10-phenanthroline168646-54-631 % similar 5,6-Dimethyl-1,10-phenanthroline3002-81-131 % similar

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

Same formula

1,4-Dinitrosobenzene105-12-4 Benzofuroxan480-96-6 2-(1,3-Dioxolan-2-ylidene)propanedinitrile5694-65-5 Oxazolo[4,5-b]pyridin-2(3H)-one60832-72-6

Elsewhere

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