2-chloro-6-(3-fluoro-5-methylphenyl)pyridine

C12H9ClFN — CID 79689816

IUPAC2-chloro-6-(3-fluoro-5-methylphenyl)pyridine
SMILESCc1cc(F)cc(-c2cccc(Cl)n2)c1
InChIInChI=1S/C12H9ClFN/c1-8-5-9(7-10(14)6-8)11-3-2-4-12(13)15-11/h2-7H,1H3
InChIKeySIZQAAZKPKAYFL-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.85
Rot. Bonds1

About 2-chloro-6-(3-fluoro-5-methylphenyl)pyridine

2-chloro-6-(3-fluoro-5-methylphenyl)pyridine (PubChem CID 79689816) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 2-chloro-6-(3-fluoro-5-methylphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-fluoro-5-methylphenyl)pyridine
PubChem CID79689816
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name2-chloro-6-(3-fluoro-5-methylphenyl)pyridine
SMILESCc1cc(F)cc(-c2cccc(Cl)n2)c1
InChIInChI=1S/C12H9ClFN/c1-8-5-9(7-10(14)6-8)11-3-2-4-12(13)15-11/h2-7H,1H3
InChIKeySIZQAAZKPKAYFL-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 53.85
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-(3-fluoro-5-methylphenyl)pyridine?
The IUPAC name of 2-chloro-6-(3-fluoro-5-methylphenyl)pyridine (CID 79689816) is 2-chloro-6-(3-fluoro-5-methylphenyl)pyridine.
What is the SMILES notation for 2-chloro-6-(3-fluoro-5-methylphenyl)pyridine?
The canonical SMILES for 2-chloro-6-(3-fluoro-5-methylphenyl)pyridine is Cc1cc(F)cc(-c2cccc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-(3-fluoro-5-methylphenyl)pyridine?
The InChIKey is SIZQAAZKPKAYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c1-8-5-9(7-10(14)6-8)11-3-2-4-12(13)15-11/h2-7H,1H3.
What are the key properties of 2-chloro-6-(3-fluoro-5-methylphenyl)pyridine?
2-chloro-6-(3-fluoro-5-methylphenyl)pyridine has a molecular weight of 221.66 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-fluoro-5-methylphenyl)pyridine is sourced from PubChem (CID 79689816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).