2-Bromo-3-methylpyridine

C₆H₆BrNCAS 3430-17-9172.03 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₆BrN
Molar mass: 172.03 g/mol
Exact mass: 170.9684 Da
Density: 1.536 g/mL (at 20 °C)
Boiling point: 218–219 °C
logP: 2.15Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 48 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

3430-17-9

SMILES

Cc1cccnc1Br

InChIKey

PZSISEFPCYMBDL-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names

Pyridine, 2-bromo-3-methyl-
3-Picoline, 2-bromo-
3-Methyl-2-bromopyridine
2-Bromo-3-picoline
NSC 245462
NSC 4244

Work with 2-Bromo-3-methylpyridine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dibromopyridine13534-89-956 % similar 2-Bromo-3-iodopyridine265981-13-356 % similar 2,3-Lutidine583-61-954 % similar 2-Iodo-3-methylpyridine22282-58-252 % similar 2-Fluoro-3-methylpyridine2369-18-852 % similar 2-Hydroxy-3-methylpyridine1003-56-150 % similar 3-Methyl-2-phenylpyridine10273-90-250 % similar 2-Bromo-4-methyl-3-pyridinamine126325-50-650 % similar

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

Same formula

4-Bromo-3-methylpyridine10168-00-0 4-Bromoaniline106-40-1 4-Bromo-2-methylpyridine22282-99-1 5-Bromo-2-methylpyridine3430-13-5 3-Bromo-5-methylpyridine3430-16-8 3-Bromo-4-methylpyridine3430-22-6 2-Bromo-5-methylpyridine3510-66-5 3-Bromo-2-methylpyridine38749-79-0

Elsewhere

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