3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile

C19H13ClN2O — CID 56679075

IUPAC3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile
SMILESN#Cc1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C19H13ClN2O/c20-18-8-6-15(7-9-18)19(23,17-5-2-10-22-13-17)16-4-1-3-14(11-16)12-21/h1-11,13,23H
InChIKeyMXRJKOAJWJXQEG-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.89
Rot. Bonds3

About 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile

3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile (PubChem CID 56679075) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile
PubChem CID56679075
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile
SMILESN#Cc1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C19H13ClN2O/c20-18-8-6-15(7-9-18)19(23,17-5-2-10-22-13-17)16-4-1-3-14(11-16)12-21/h1-11,13,23H
InChIKeyMXRJKOAJWJXQEG-UHFFFAOYSA-N
XLogP3.89
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Parinol
CID 28768
1,1-Diphenyl-2-pyridin-4-ylethanol
CID 303194
2-Phenyl-1,1-di(pyridin-3-yl)ethanol
CID 46885546
Bis-(4-chloro-phenyl)-pyridin-4-yl-methanol
CID 7330473
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-(1-methyl-1H-pyrrol-2-yl)-pentanenitrile
CID 10571296
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-pyridin-2-yl-pentanenitrile
CID 10737864
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-pyridin-3-yl-pentanenitrile
CID 10809142
(4-Chloro-phenyl)-(2-chloro-phenyl)-pyridin-3-yl-methanol: (Hydrochloride)
CID 18960776
(2-Bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
CID 56658799
1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol
CID 31034
Diphenyl(pyridin-3-yl)methanol
CID 298509
(4-Chlorophenyl)(pyridin-3-yl)methanol
CID 240724

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile?
The IUPAC name of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile (CID 56679075) is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile.
What is the SMILES notation for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile?
The canonical SMILES for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile is N#Cc1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile?
The InChIKey is MXRJKOAJWJXQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-18-8-6-15(7-9-18)19(23,17-5-2-10-22-13-17)16-4-1-3-14(11-16)12-21/h1-11,13,23H.
What are the key properties of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile?
3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile has a molecular weight of 320.78 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile is sourced from PubChem (CID 56679075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).