(3-Bromopyridin-4-yl)methanol

C₆H₆BrNOCAS 146679-66-5188.02 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

Identifiers

CAS number

146679-66-5

SMILES

C1=CN=CC(=C1CO)Br

InChIKey

LQBUZBOVEZBDEB-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrNO/c7-6-3-8-2-1-5(6)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

3-Bromopyridine-4-methanol

Work with (3-Bromopyridin-4-yl)methanol

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-Bromobenzyl alcohol18982-54-254 % similar 2,4-Dibromobenzenemethanol666747-06-447 % similar 3-Bromo-4-fluoropyridine116922-60-245 % similar 3-Bromo-4-methylpyridine3430-22-645 % similar 3-Bromoisonicotinic acid13959-02-942 % similar 4-Pyridinemethanol586-95-841 % similar 3-Bromo-2-methylbenzenemethanol83647-43-241 % similar 3-Pyridinemethanol100-55-041 % 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