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

C19H12ClFN2O — CID 56675891

IUPAC4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c(F)c1
InChIInChI=1S/C19H12ClFN2O/c20-16-6-4-14(5-7-16)19(24,15-2-1-9-23-12-15)17-8-3-13(11-22)10-18(17)21/h1-10,12,24H
InChIKeyNJFRFQDZNXHOCK-UHFFFAOYSA-N
MW338.77 g/mol
LogP4.03
Rot. Bonds3

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

4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile (PubChem CID 56675891) has the molecular formula C19H12ClFN2O and a molecular weight of 338.77 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile
PubChem CID56675891
Molecular FormulaC19H12ClFN2O
Molecular Weight338.77 g/mol
Exact Mass338.06
IUPAC Name4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c(F)c1
InChIInChI=1S/C19H12ClFN2O/c20-16-6-4-14(5-7-16)19(24,15-2-1-9-23-12-15)17-8-3-13(11-22)10-18(17)21/h1-10,12,24H
InChIKeyNJFRFQDZNXHOCK-UHFFFAOYSA-N
XLogP4.03
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Parinol
CID 28768
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
4-(4-Chloro-phenyl)-1-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperidin-4-ol
CID 10642702
(4-Chloro-phenyl)-pyridin-3-yl-p-tolyl-methanol: (Hydrochloride)
CID 44356699

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile?
The IUPAC name of 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile (CID 56675891) is 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile is N#Cc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c(F)c1.
What is the InChIKey of 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile?
The InChIKey is NJFRFQDZNXHOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O/c20-16-6-4-14(5-7-16)19(24,15-2-1-9-23-12-15)17-8-3-13(11-22)10-18(17)21/h1-10,12,24H.
What are the key properties of 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile?
4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile has a molecular weight of 338.77 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-3-fluorobenzonitrile is sourced from PubChem (CID 56675891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).