4-Bromo-2-pyridinemethanol

C₆H₆BrNOCAS 131747-45-0188.02 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₆H₆BrNO
Molar mass: 188.02 g/mol
Exact mass: 186.9633 Da
logP: 1.34Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

131747-45-0

SMILES

C1=CN=C(C=C1Br)CO

InChIKey

MHVUUSQGWMQSMH-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2

Weigh it out

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

Names and synonyms

1 names

(4-Bromopyridin-2-yl)methanol

Work with 4-Bromo-2-pyridinemethanol

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

C-(4-Bromo-pyridin-2-yl)-methylamine865156-50-960 % similar 4-Bromo-2-fluoropyridine128071-98-755 % similar (4-Chloro-pyridin-2-yl)-methanol63071-10-355 % similar 2-Hydroxymethyl-5-bromopyridine88139-91-752 % similar 4,4′-Dibromo-2,2′-bipyridine18511-71-250 % similar 2,4-Dibromopyridine58530-53-348 % similar 2-Pyridinemethanol586-98-147 % similar 4-Bromo-2-methylpyridine22282-99-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-4-bromophenol100367-37-1 4-Bromo-2-methoxypyridine100367-39-3 2-Bromo-5-methoxypyridine105170-27-2 2-Amino-3-bromophenol116435-77-9 (2-Bromopyridin-4-yl)methanol118289-16-0 (6-Bromo-pyridin-3-yl)-methanol122306-01-8 3-Bromo-2-methoxypyridine13472-59-8 5-Bromo-2-methoxypyridine13472-85-0

Elsewhere

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