5H-Chromeno(2,3-b)pyridin-5-one

C₁₂H₇NO₂CAS 6537-46-8197.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₇NO₂
Molar mass: 197.19 g/mol
Exact mass: 197.0477 Da
logP: 2.34Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6537-46-8

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(O2)N=CC=C3

InChIKey

KWFWIGXYOMVRSA-UHFFFAOYSA-N

InChI

InChI=1S/C12H7NO2/c14-11-8-4-1-2-6-10(8)15-12-9(11)5-3-7-13-12/h1-7H

Weigh it out

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

Names and synonyms

1 names

1-Azaxanthone

Work with 5H-Chromeno(2,3-b)pyridin-5-one

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

Xanthone90-47-162 % similar Sieber linker3722-51-846 % similar 2-Amino-3-formylchromone61424-76-844 % similar Isoxazolo[5,4-B]pyridin-3-ol16880-54-942 % similar 3-Hydroxyflavone577-85-541 % similar Dibenzofuran132-64-940 % similar Benzofuro[2,3-B]pyridin-8-ol1609373-91-240 % similar 3-Formylchromone17422-74-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Naphthalimide81-83-4

Elsewhere

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