5-(Bromomethyl)pyridine-2-carbonitrile

C₇H₅BrN₂CAS 308846-06-2197.03 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₇H₅BrN₂
Molar mass: 197.03 g/mol
Exact mass: 195.9636 Da
logP: 1.85Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

308846-06-2

SMILES

C1=CC(=NC=C1CBr)C#N

InChIKey

VEPVNICICSNYPW-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN2/c8-3-6-1-2-7(4-9)10-5-6/h1-2,5H,3H2

Weigh it out

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

Names and synonyms

1 names

2-Cyano-5-bromomethylpyridine

Work with 5-(Bromomethyl)pyridine-2-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

4-Cyanobenzyl bromide17201-43-352 % similar 5-Methyl-2-pyridinecarbonitrile1620-77-548 % similar 2-Cyano-5-fluoropyridine327056-62-248 % similar 3-Amino-6-cyanopyridine55338-73-348 % similar 2-Cyano-5-hydroxypyridine86869-14-948 % similar 5-Chloro-2-pyridinecarbonitrile89809-64-348 % similar 4'-(Bromomethyl)-2-cyanobiphenyl114772-54-242 % similar 3-Cyanobenzyl bromide28188-41-242 % 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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