chempirical

(5,6-Dichloropyridin-3-yl)methanol

C6H5Cl2NOCAS 54127-30-9178.01 g/mol

Open in Covalent MOL file
HONClCl
AlcoholAryl halide

Properties

Molecular formula
C6H5Cl2NO
Molar mass
178.01 g/mol
Exact mass
176.9748 Da
logP
1.88Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
54127-30-9
SMILES
OCc1cnc(Cl)c(Cl)c1
InChIKey
ZOFUUOULXZPZHP-UHFFFAOYSA-N
InChI
InChI=1S/C6H5Cl2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2

Weigh it out

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

Names and synonyms

4 names
  • 3-Pyridinemethanol, 5,6-dichloro-
  • 5,6-Dichloro-3-pyridinemethanol
  • 2,3-Dichloro-5-(hydroxymethyl)pyridine
  • 2,3-Dichloro-5-pyridinemethanol

Work with (5,6-Dichloropyridin-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

2,3-Dichloro-5-hydroxypyridine110860-92-952 % similar 2,3,5-Trichloropyridine16063-70-050 % similar 3,4-Dichlorobenzenemethanol1805-32-948 % similar 2,3-Dichloro-5-(trichloromethyl)pyridine69045-83-644 % similar 5,6-Dichloronicotinic acid41667-95-243 % similar 2,3-Dichloro-5-(trifluoromethyl)pyridine69045-84-743 % similar (2-Chloropyridin-4-yl)methanol100704-10-740 % similar 2,3-Dichloro-5-nitropyridine22353-40-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dichloro-4-pyridinemethanol101990-69-6 Nicotinic acid chloride hydrochloride20260-53-1 Isonicotinoyl chloride hydrochloride39178-35-3 2-Amino-4,6-dichlorophenol527-62-8 4-Amino-2,6-dichlorophenol5930-28-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook