2-chloro-6-fluoro-4-phenylpyridine

C11H7ClFN — CID 118994306

IUPAC2-chloro-6-fluoro-4-phenylpyridine
SMILESFc1cc(-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C11H7ClFN/c12-10-6-9(7-11(13)14-10)8-4-2-1-3-5-8/h1-7H
InChIKeyLFKJZTRWLJBQSH-UHFFFAOYSA-N
MW207.64 g/mol
LogP3.54
Rot. Bonds1

About 2-chloro-6-fluoro-4-phenylpyridine

2-chloro-6-fluoro-4-phenylpyridine (PubChem CID 118994306) has the molecular formula C11H7ClFN and a molecular weight of 207.64 g/mol. Its IUPAC name is 2-chloro-6-fluoro-4-phenylpyridine.

Molecular Properties

Compound Name2-chloro-6-fluoro-4-phenylpyridine
PubChem CID118994306
Molecular FormulaC11H7ClFN
Molecular Weight207.64 g/mol
Exact Mass207.03
IUPAC Name2-chloro-6-fluoro-4-phenylpyridine
SMILESFc1cc(-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C11H7ClFN/c12-10-6-9(7-11(13)14-10)8-4-2-1-3-5-8/h1-7H
InChIKeyLFKJZTRWLJBQSH-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-fluoro-4-phenylpyridine?
The IUPAC name of 2-chloro-6-fluoro-4-phenylpyridine (CID 118994306) is 2-chloro-6-fluoro-4-phenylpyridine.
What is the SMILES notation for 2-chloro-6-fluoro-4-phenylpyridine?
The canonical SMILES for 2-chloro-6-fluoro-4-phenylpyridine is Fc1cc(-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-fluoro-4-phenylpyridine?
The InChIKey is LFKJZTRWLJBQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN/c12-10-6-9(7-11(13)14-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-chloro-6-fluoro-4-phenylpyridine?
2-chloro-6-fluoro-4-phenylpyridine has a molecular weight of 207.64 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-4-phenylpyridine is sourced from PubChem (CID 118994306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).