3-Bromo-2-chloro-4-methylpyridine

C6H5BrClNCAS 55404-31-4206.47 g/mol

Open in Covalent MOL file
NClBr
Aryl halide

Properties

Molecular formula
C6H5BrClN
Molar mass
206.47 g/mol
Exact mass
204.9294 Da
logP
2.81Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
55404-31-4
SMILES
Cc1ccnc(Cl)c1Br
InChIKey
QPFHYDFGKXHWIN-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrClN/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3

Weigh it out

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Names and synonyms

2 names
  • Pyridine, 3-bromo-2-chloro-4-methyl-
  • 3-Bromo-2-chloro-4-picoline

Work with 3-Bromo-2-chloro-4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-2,4-dichloropyridine144584-32-759 % similar 3-Bromo-2,4-dimethylpyridine27063-93-059 % similar 3-Amino-2-chloro-4-methylpyridine133627-45-955 % similar 3-Bromo-2-chloropyridin-4-amine215364-85-555 % similar 2-Chloro-3-fluoro-4-methylpyridine881891-82-355 % similar 2-Chloro-4-iodo-3-methylpyridine153034-88-950 % similar 2-Chloro-3-methylpyridine18368-76-850 % similar 2-Chloro-4-methyl-3-pyridinecarbonitrile65169-38-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-6-chloro-2-methylpyridine132606-40-7 3-Bromo-2-chloro-5-methylpyridine17282-03-0 3-Bromo-2-chloro-6-picoline185017-72-5 4-Bromo-3-chloroaniline21402-26-6 5-Bromo-2-chloro-3-methylpyridine29241-60-9 4-Bromo-2-chloroaniline38762-41-3 5-Bromo-2-chloroaniline60811-17-8 2-Bromo-5-chloro-3-methylpyridine65550-77-8

Elsewhere

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