4-Bromo-6-methyl-2-pyridinecarbonitrile

C₇H₅BrN₂CAS 886372-53-8197.04 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₅BrN₂
Molar mass: 197.04 g/mol
Exact mass: 195.9636 Da
logP: 2.02Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95% of notifiers
H312 Harmful in contact with skin95% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled95% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 20 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

886372-53-8

SMILES

Cc1cc(Br)cc(C#N)n1

InChIKey

FCVFYONLGQTBRO-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN2/c1-5-2-6(8)3-7(4-9)10-5/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Pyridinecarbonitrile, 4-bromo-6-methyl-

Work with 4-Bromo-6-methyl-2-pyridinecarbonitrile

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-Methylpyridine-2-carbonitrile1620-75-348 % similar 4-Bromo-2-pyridinecarbonitrile62150-45-247 % similar 5-Bromobenzene-1,3-dicarbonitrile160892-07-942 % similar 3,5-Dibromobenzonitrile97165-77-042 % similar 3-Bromo-6-methylpyridine-2-carbonitrile717843-48-641 % similar 5-Bromo-2-pyridinecarbonitrile97483-77-740 % similar 5-Bromo-4-methyl-pyridine-2-carbonitrile886364-86-939 % similar 2-Chloro-3-cyano-4,6-dimethylpyridine14237-71-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-4-azaindole1000341-51-4 2-Bromo-5-cyano-4-picoline1003711-35-0 5-Bromopyrazolo[1,5-A]pyridine1060812-84-1 2-Amino-3-bromobenzonitrile114344-60-4 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-8 6-Bromopyrazolo(1,5-a)pyridine1264193-11-4 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-7 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-5

Elsewhere

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