Quinoxaline-2-carbaldehyde

C₉H₆N₂OCAS 1593-08-4158.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆N₂O
Molar mass: 158.16 g/mol
Exact mass: 158.0480 Da
logP: 1.44Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation95.6% of notifiers
H319 Causes serious eye irritation95.6% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

1593-08-4

SMILES

C1=CC=C2C(=C1)N=CC(=N2)C=O

InChIKey

UJEHWLFUEQHEEZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H6N2O/c12-6-7-5-10-8-3-1-2-4-9(8)11-7/h1-6H

Weigh it out

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

Names and synonyms

1 names

2-Quinoxalinecarbaldehyde

Work with Quinoxaline-2-carbaldehyde

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-Quinolinecarboxaldehyde5470-96-255 % similar 3-Quinolinecarboxaldehyde13669-42-647 % similar Pyridine-2-carbaldehyde1121-60-447 % similar 2,6-Diformylpyridine5431-44-746 % similar Imidazo(1,2-a)pyridine-2-carbaldehyde118000-43-446 % similar 2-Chloroquinoxaline1448-87-945 % similar 2-Bromoquinoxaline36856-91-445 % similar 2-Methylquinoxaline7251-61-845 % similar

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

Same formula

Quinoxaline-6-carbaldehyde130345-50-5 2-Oxo-2,3-dihydro-1H-indole-7-carbonitrile380427-40-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook