chempirical

5-Methoxy-1-(2-pyrimidinyl)-1H-indole-3-carbaldehyde

C14H11N3O2CAS 886361-96-2253.26 g/mol

Open in Covalent MOL file
ONONN
AldehydeEther

Properties

Molecular formula
C14H11N3O2
Molar mass
253.26 g/mol
Exact mass
253.0851 Da
logP
2.24Crippen estimate
Polar surface area
57.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
886361-96-2
SMILES
COC1=CC2=C(C=C1)N(C=C2C=O)C3=NC=CC=N3
InChIKey
DYXNNMOTBJZTPI-UHFFFAOYSA-N
InChI
InChI=1S/C14H11N3O2/c1-19-11-3-4-13-12(7-11)10(9-18)8-17(13)14-15-5-2-6-16-14/h2-9H,1H3

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Names and synonyms

1 names
  • 5-Methoxy-1-(pyrimidin-2-yl)-1H-indole-3-carbaldehyde

Work with 5-Methoxy-1-(2-pyrimidinyl)-1H-indole-3-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

5-Methoxyindole-3-carbaldehyde10601-19-144 % similar 2-Bromo-4-methoxybenzaldehyde43192-31-044 % similar 2,5-Dimethoxybenzaldehyde93-02-743 % similar 2,4-Dimethoxybenzaldehyde613-45-643 % similar 4-Methoxy-2-methylbenzaldehyde52289-54-042 % similar 2-Hydroxy-4-methoxybenzaldehyde673-22-342 % similar 2-Methoxypyridine-3-carbaldehyde71255-09-942 % similar 2-Fluoro-5-methoxybenzaldehyde105728-90-341 % similar

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

Elsewhere

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