6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile

C18H10ClFN2O — CID 2765245

IUPAC6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)cc2)nc1Oc1ccc(F)cc1
InChIInChI=1S/C18H10ClFN2O/c19-14-4-1-12(2-5-14)17-10-3-13(11-21)18(22-17)23-16-8-6-15(20)7-9-16/h1-10H
InChIKeyLIXFRJCDSLOBKI-UHFFFAOYSA-N
MW324.74 g/mol
LogP5.21
Rot. Bonds3

About 6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile

6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile (PubChem CID 2765245) has the molecular formula C18H10ClFN2O and a molecular weight of 324.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile
PubChem CID2765245
Molecular FormulaC18H10ClFN2O
Molecular Weight324.74 g/mol
Exact Mass324.05
IUPAC Name6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)cc2)nc1Oc1ccc(F)cc1
InChIInChI=1S/C18H10ClFN2O/c19-14-4-1-12(2-5-14)17-10-3-13(11-21)18(22-17)23-16-8-6-15(20)7-9-16/h1-10H
InChIKeyLIXFRJCDSLOBKI-UHFFFAOYSA-N
XLogP5.21
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.74
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile (CID 2765245) is 6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(Cl)cc2)nc1Oc1ccc(F)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile?
The InChIKey is LIXFRJCDSLOBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2O/c19-14-4-1-12(2-5-14)17-10-3-13(11-21)18(22-17)23-16-8-6-15(20)7-9-16/h1-10H.
What are the key properties of 6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile?
6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile has a molecular weight of 324.74 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 2765245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).