3-(2-Chloropyrimidin-4-yl)-1-methyl-1H-indole

C13H10ClN3CAS 1032452-86-0243.69 g/mol

Open in Covalent MOL file
NNNCl
Aryl halide

Properties

Molecular formula
C13H10ClN3
Molar mass
243.69 g/mol
Exact mass
243.0563 Da
logP
3.29Crippen estimate
Polar surface area
30.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
1032452-86-0
SMILES
CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)Cl
InChIKey
IIBWXYHPBMUNJP-UHFFFAOYSA-N
InChI
InChI=1S/C13H10ClN3/c1-17-8-10(9-4-2-3-5-12(9)17)11-6-7-15-13(14)16-11/h2-8H,1H3

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Names and synonyms

1 names
  • 3-(2-Chloropyrimidin-4-yl)-1-methylindole

Work with 3-(2-Chloropyrimidin-4-yl)-1-methyl-1H-indole

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

N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine1421372-94-241 % similar 2-Chloro-4-(3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl)pyrimidine1269440-58-541 % similar Mutated egfr-in-11421372-66-840 % similar 1-Methylindole-3-carboxaldehyde19012-03-438 % similar N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine1421372-67-937 % similar 1-Methyl-1H-indole-3-carboxylic acid32387-21-635 % similar Osimertinib1421373-65-035 % similar 2-Chloro-4-methylpyrimidine13036-57-234 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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