2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile

C18H10ClFN2O — CID 59585024

IUPAC2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)nc1Oc1ccccc1Cl
InChIInChI=1S/C18H10ClFN2O/c19-15-3-1-2-4-17(15)23-18-13(11-21)7-10-16(22-18)12-5-8-14(20)9-6-12/h1-10H
InChIKeyRMFCTNRGSSEPQE-UHFFFAOYSA-N
MW324.74 g/mol
LogP5.21
Rot. Bonds3

About 2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile

2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile (PubChem CID 59585024) has the molecular formula C18H10ClFN2O and a molecular weight of 324.74 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
PubChem CID59585024
Molecular FormulaC18H10ClFN2O
Molecular Weight324.74 g/mol
Exact Mass324.05
IUPAC Name2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)nc1Oc1ccccc1Cl
InChIInChI=1S/C18H10ClFN2O/c19-15-3-1-2-4-17(15)23-18-13(11-21)7-10-16(22-18)12-5-8-14(20)9-6-12/h1-10H
InChIKeyRMFCTNRGSSEPQE-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 2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile (CID 59585024) is 2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(F)cc2)nc1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile?
The InChIKey is RMFCTNRGSSEPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2O/c19-15-3-1-2-4-17(15)23-18-13(11-21)7-10-16(22-18)12-5-8-14(20)9-6-12/h1-10H.
What are the key properties of 2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile?
2-(2-chlorophenoxy)-6-(4-fluorophenyl)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 2-(2-chlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 59585024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).