Quinoxaline-6-carbaldehyde

C9H6N2OCAS 130345-50-5158.16 g/mol

Open in Covalent MOL file
NNO
Aldehyde

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
130345-50-5
SMILES
C1=CC2=NC=CN=C2C=C1C=O
InChIKey
UGOIXUFOAODGNI-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O/c12-6-7-1-2-8-9(5-7)11-4-3-10-8/h1-6H

Weigh it out

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Names and synonyms

1 names
  • Quinoxaline-6-carboxaldehyde

Work with Quinoxaline-6-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

6-Quinolinecarbaldehyde4113-04-661 % similar Quinoline-7-carbaldehyde49573-30-061 % similar 2,1,3-Benzothiadiazole-5-carbaldehyde71605-72-657 % similar 2 2'-Bipyridine-4 4'-dicarboxaldehyde99970-84-052 % similar 1H-Benzimidazole-6-carboxaldehyde58442-17-452 % similar 2-Chloro-4-pyridinecarboxaldehyde101066-61-947 % similar 2-Bromo-4-pyridinecarboxaldehyde118289-17-147 % similar 2-Methylisonicotinaldehyde63875-01-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Quinoxaline-2-carbaldehyde1593-08-4 2-Oxo-2,3-dihydro-1H-indole-7-carbonitrile380427-40-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook