3-Bromo-6-hydroxy-2-methylpyridine

C6H6BrNOCAS 54923-31-8188.02 g/mol

Open in Covalent MOL file
OHNBr
Aryl halide

Properties

Molecular formula
C6H6BrNO
Molar mass
188.02 g/mol
Exact mass
186.9633 Da
logP
1.45Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
54923-31-8
SMILES
CC1=C(C=CC(=O)N1)Br
InChIKey
UJHCRBDEJPQFIA-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrNO/c1-4-5(7)2-3-6(9)8-4/h2-3H,1H3,(H,8,9)

Weigh it out

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

Work with 3-Bromo-6-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-6-methyl-2-pyridinamine42753-71-953 % similar 2-Hydroxy-6-methyl-5-nitropyridine28489-45-446 % similar 3-Bromo-2-hydroxy-6-picoline374633-33-744 % similar Ethyl 2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate3424-43-940 % similar 6-Methylpyridin-2-ol91914-07-739 % similar 5-Bromo-2-hydroxy-4-methylpyridine164513-38-638 % similar 6-Bromoquinolin-2(1H)-one1810-66-837 % similar 1,4-Dibromo-2,3-dimethylbenzene75024-22-537 % 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

PubChem CAS Common Chemistry NIST WebBook