5-Bromo-4-methyl-pyridine-2-carbonitrile

C₇H₅BrN₂CAS 886364-86-9197.03 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₅BrN₂
Molar mass: 197.03 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

Danger

H301 Toxic if swallowed97.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.4% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

886364-86-9

SMILES

CC1=CC(=NC=C1Br)C#N

InChIKey

JAQLBGDFALXUMV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

5-Bromo-4-methylpyridine-2-carbonitrile

Work with 5-Bromo-4-methyl-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

2,5-Dibromo-4-methylpyridine3430-26-053 % similar 5-Bromo-2-chloro-4-methylpyridine778611-64-650 % similar 5-Bromo-2-fluoro-4-methyl-pyridine864830-16-050 % similar 2-Amino-5-bromo-4-methylpyridine98198-48-250 % similar 4-Bromo-3-methylbenzonitrile41963-20-649 % similar 5-Bromo-2-methoxy-4-methylpyridine164513-39-747 % similar 4-Methyl-2-pyridinecarbonitrile1620-76-446 % similar 4-Bromo-2-pyridinecarbonitrile62150-45-246 % 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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