5-Bromo-2-chloro-3-methoxypyridine

C₆H₅BrClNOCAS 286947-03-3222.47 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₆H₅BrClNO
Molar mass: 222.47 g/mol
Exact mass: 220.9243 Da
logP: 2.51Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed95.1% of notifiers
H318 Causes serious eye damage95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, P501

Identifiers

CAS number

286947-03-3

SMILES

COC1=C(N=CC(=C1)Br)Cl

InChIKey

GFJMOZYIDADKLJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrClNO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3

Weigh it out

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

Work with 5-Bromo-2-chloro-3-methoxypyridine

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-Bromo-3-methoxy-2-methylpyridine1150617-80-361 % similar 5-Bromo-3-methoxypyridin-2-amine42409-58-559 % similar 3-Amino-6-chloro-5-methoxy pyridine75711-01-259 % similar 5-Bromo-2-chloro-3-methylpyridine29241-60-955 % similar 3-Amino-5-bromo-2-chloropyridine588729-99-155 % similar 2-Chloro-3,5-dibromopyridine40360-47-253 % similar 5-Bromo-2,3-dichloropyridine97966-00-253 % similar 5-Bromo-2-chloro-pyridin-3-ol286946-77-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-5-chloro-2-methoxy-pyridine102830-75-1 3-Bromo-2-chloro-6-methoxypyridine777931-67-6 2-Methoxy-3-chloro-5-bromopyridine848366-28-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook