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

C12H6ClFN2 — CID 2773734

IUPAC2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)nc1Cl
InChIInChI=1S/C12H6ClFN2/c13-12-9(7-15)3-6-11(16-12)8-1-4-10(14)5-2-8/h1-6H
InChIKeyVJYNNRPTVYPCCS-UHFFFAOYSA-N
MW232.65 g/mol
LogP3.41
Rot. Bonds1

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

2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile (PubChem CID 2773734) has the molecular formula C12H6ClFN2 and a molecular weight of 232.65 g/mol. Its IUPAC name is 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile
PubChem CID2773734
Molecular FormulaC12H6ClFN2
Molecular Weight232.65 g/mol
Exact Mass232.02
IUPAC Name2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)nc1Cl
InChIInChI=1S/C12H6ClFN2/c13-12-9(7-15)3-6-11(16-12)8-1-4-10(14)5-2-8/h1-6H
InChIKeyVJYNNRPTVYPCCS-UHFFFAOYSA-N
XLogP3.41
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile (CID 2773734) is 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(F)cc2)nc1Cl.
What is the InChIKey of 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile?
The InChIKey is VJYNNRPTVYPCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2/c13-12-9(7-15)3-6-11(16-12)8-1-4-10(14)5-2-8/h1-6H.
What are the key properties of 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile?
2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile has a molecular weight of 232.65 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2773734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).