4-Bromo-1H-indole-6-carbonitrile

C₉H₅BrN₂CAS 374633-29-1221.06 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₉H₅BrN₂
Molar mass: 221.06 g/mol
Exact mass: 219.9636 Da
logP: 2.80Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

374633-29-1

SMILES

N#Cc1cc(Br)c2cc[nH]c2c1

InChIKey

LIXMZLHXLYDHRO-UHFFFAOYSA-N

InChI

InChI=1S/C9H5BrN2/c10-8-3-6(5-11)4-9-7(8)1-2-12-9/h1-4,12H

Weigh it out

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

Names and synonyms

1 names

1H-Indole-6-carbonitrile, 4-bromo-

Work with 4-Bromo-1H-indole-6-carbonitrile

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-Indole-6-carbonitrile15861-36-650 % similar 4-Bromo-6-(trifluoromethyl)-1H-indole1000342-93-749 % similar 4-Bromoindole52488-36-547 % similar Indole-5-carbonitrile15861-24-246 % similar Bromoxynil1689-84-546 % similar 3-Bromo-4-hydroxybenzonitrile2315-86-842 % similar 3,5-Dibromo-4-methoxybenzonitrile3336-39-842 % similar 3-Bromo-4-fluorobenzonitrile79630-23-242 % similar

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

Elsewhere

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