chempirical

(4-Bromopyridin-3-yl)methanol

C6H6BrNOCAS 197007-87-7188.02 g/mol

Open in Covalent MOL file
NBrHO
AlcoholAryl 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
197007-87-7
SMILES
C1=CN=CC(=C1Br)CO
InChIKey
DDZMBVCLSZAYOT-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrNO/c7-6-1-2-8-3-5(6)4-9/h1-3,9H,4H2

Weigh it out

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

Work with (4-Bromopyridin-3-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 4-Bromo-3-methylpyridine10168-00-045 % similar 2-Bromo-5-fluorobenzenemethanol202865-66-544 % similar 2,4-Dibromobenzenemethanol666747-06-442 % similar 5-Pyrimidinemethanol25193-95-741 % similar 4-Pyridinemethanol586-95-841 % similar 4-Bromo-3-fluoropyridine hydrochloride1159811-44-541 % similar 4-Bromo-3-pyridinecarbonitrile154237-70-441 % 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