(S)-(4-Chlorophenyl)(pyridin-2-yl)methanol

C12H10ClNOCAS 176022-47-2219.67 g/mol

Open in Covalent MOL file
NClOH
AlcoholAryl halide

Properties

Molecular formula
C12H10ClNO
Molar mass
219.67 g/mol
Exact mass
219.0451 Da
logP
2.82Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
176022-47-2
SMILES
C1=CC=NC(=C1)[C@H](C2=CC=C(C=C2)Cl)O
InChIKey
ZFUPOFQRQNJDNS-LBPRGKRZSA-N
InChI
InChI=1S/C12H10ClNO/c13-10-6-4-9(5-7-10)12(15)11-3-1-2-8-14-11/h1-8,12,15H/t12-/m0/s1

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

Work with (S)-(4-Chlorophenyl)(pyridin-2-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

α-(4-Chlorophenyl)-2-pyridinemethanol27652-89-7Stereo not defined

Similar compounds

2-(4,Alpha-dichlorobenzyl)pyridine142404-69-163 % similar 4-Chlorobenzhydrol119-56-259 % similar 4,4′-Dichlorobenzhydrol90-97-157 % similar 2-((4-Chlorophenyl)(4-piperidinyloxy)methyl)pyridine122368-54-148 % similar (S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine201594-84-548 % similar (R)-2-(1-Hydroxyethyl)pyridine27911-63-344 % similar (1S)-1-(Pyridin-2-yl)ethan-1-ol59042-90-944 % similar 2-(4-Chlorophenyl)pyridine5969-83-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Chlorophenoxy)benzenamine101-79-1 2-(4-Chlorophenoxy)benzenamine2770-11-8 5-Chloro-2-phenoxybenzenamine93-67-4

Elsewhere

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