5-Bromo-3-methylpyridine-2-carbonitrile

C₇H₅BrN₂CAS 156072-86-5197.03 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

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

156072-86-5

SMILES

CC1=CC(=CN=C1C#N)Br

InChIKey

YPCLLVYLWXIIBW-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

5-Bromo-3-methylpicolinonitrile

Work with 5-Bromo-3-methylpyridine-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

5-Hydroxy-3-methylpyridine-2-carbonitrile228867-86-559 % similar 5-Bromo-3-fluoro-2-pyridinecarbonitrile886373-28-059 % similar 5-Bromo-3-chloropyridine-2-carbonitrile945557-04-059 % similar 5-Bromo-3-(trifluoromethyl)-2-pyridinecarbonitrile1214377-57-754 % similar 5-Bromo-3-nitropyridine-2-carbonitrile573675-25-954 % similar 5-Bromo-2,3-dimethylpyridine27063-90-753 % similar 2,5-Dibromo-3-methylpyridine3430-18-053 % similar 5-Bromo-N,3-dimethylpyridin-2-amine245765-66-653 % 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-1H-pyrrolo[2,3-b]pyridine183208-35-7

Elsewhere

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