3-Bromo-2-chloro-6-picoline

C₆H₅BrClNCAS 185017-72-5206.47 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed95.1% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage95.1% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 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

185017-72-5

SMILES

CC1=NC(=C(C=C1)Br)Cl

InChIKey

JVDQYSIJBRTRMS-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrClN/c1-4-2-3-5(7)6(8)9-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

3-Bromo-2-chloro-6-methylpyridine

Work with 3-Bromo-2-chloro-6-picoline

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

2,3-Dibromo-6-methylpyridine261373-04-057 % similar 3-Bromo-2,6-dimethylpyridine3430-31-757 % similar 3-Bromo-2,6-dichloropyridine866755-20-657 % similar 3,6-Dibromo-2-chloropyridine942206-18-057 % similar 2-Amino-3-bromo-6-methylpyridine126325-46-053 % similar 2-Chloro-3-fluoro-6-methylpyridine374633-32-653 % similar 3-Bromo-2-fluoro-6-picoline375368-78-853 % similar 3-Amino-2-chloro-6-picoline39745-40-953 % 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 4-Bromo-3-chloroaniline21402-26-6 5-Bromo-2-chloro-3-methylpyridine29241-60-9 4-Bromo-2-chloroaniline38762-41-3 3-Bromo-2-chloro-4-methylpyridine55404-31-4 5-Bromo-2-chloroaniline60811-17-8 2-Bromo-5-chloro-3-methylpyridine65550-77-8

Elsewhere

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