5-Bromo-3-hydroxy-2-methylpyridine

C₆H₆BrNOCAS 91420-25-6188.02 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₆BrNO
Molar mass: 188.02 g/mol
Exact mass: 186.9633 Da
logP: 1.86Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

91420-25-6

SMILES

CC1=C(C=C(C=N1)Br)O

InChIKey

KTXDLMQWUZXRPA-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrNO/c1-4-6(9)2-5(7)3-8-4/h2-3,9H,1H3

Weigh it out

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

Names and synonyms

1 names

5-Bromo-2-methylpyridin-3-ol

Work with 5-Bromo-3-hydroxy-2-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

5-Bromo-2,3-dimethylpyridine27063-90-759 % similar 5-Bromo-2-chloro-pyridin-3-ol286946-77-855 % similar 2-Amino-5-bromo-3-hydroxypyridine39903-01-055 % similar 5-Bromo-3-chloro-2-methylpyridine914358-72-855 % similar 5-Bromo-2-methyl-3-pyridinamine914358-73-955 % similar 5-Bromo-3-methoxy-2-methylpyridine1150617-80-352 % similar 5-Bromo-3-methyl-2(1H)-pyridinone89488-30-250 % similar 5-Bromo-2-methyl-3-nitropyridine911434-05-446 % 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 4-Bromo-2-pyridinemethanol131747-45-0 3-Bromo-2-methoxypyridine13472-59-8

Elsewhere

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