chempirical

Indole-2-carboxaldehyde

C9H7NOCAS 19005-93-7145.16 g/mol

Open in Covalent MOL file
NHO
Aldehyde

Properties

Molecular formula
C9H7NO
Molar mass
145.16 g/mol
Exact mass
145.0528 Da
logP
1.98Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
19005-93-7
SMILES
C1=CC=C2C(=C1)C=C(N2)C=O
InChIKey
SBNOTUDDIXOFSN-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H

Weigh it out

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

Work with Indole-2-carboxaldehyde

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

1H-Pyrrolo(2,3-b)pyridine-2-carbaldehyde394223-03-153 % similar 2-Phenylindole948-65-245 % similar 2-Methylindole95-20-545 % similar Indole-2-carboxylic acid1477-50-542 % similar 2-(1,1-Dimethylethyl)-1H-indole1805-65-841 % similar 2-(2-Naphthyl)indole23746-81-841 % similar (1H-Indol-2-yl)methanol24621-70-341 % similar 2-Aminoquinoline580-22-341 % similar

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

Same formula

Indole-4-carboxaldehyde1074-86-8 Indole-7-carboxaldehyde1074-88-0 Indole-5-carboxaldehyde1196-69-6 Indole-6-carboxaldehyde1196-70-9 Quinolinol1321-40-0 4-Acetylbenzonitrile1443-80-7 8-Hydroxyquinoline148-24-3 Isoquinoline N-oxide1532-72-5

Elsewhere

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