6-chloro-2-phenyl-3-(trifluoromethyl)pyridine

C12H7ClF3N — CID 59840819

IUPAC6-chloro-2-phenyl-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Cl)nc1-c1ccccc1
InChIInChI=1S/C12H7ClF3N/c13-10-7-6-9(12(14,15)16)11(17-10)8-4-2-1-3-5-8/h1-7H
InChIKeyCSALKRNCAVCUMC-UHFFFAOYSA-N
MW257.64 g/mol
LogP4.42
Rot. Bonds1

About 6-chloro-2-phenyl-3-(trifluoromethyl)pyridine

6-chloro-2-phenyl-3-(trifluoromethyl)pyridine (PubChem CID 59840819) has the molecular formula C12H7ClF3N and a molecular weight of 257.64 g/mol. Its IUPAC name is 6-chloro-2-phenyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-chloro-2-phenyl-3-(trifluoromethyl)pyridine
PubChem CID59840819
Molecular FormulaC12H7ClF3N
Molecular Weight257.64 g/mol
Exact Mass257.02
IUPAC Name6-chloro-2-phenyl-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Cl)nc1-c1ccccc1
InChIInChI=1S/C12H7ClF3N/c13-10-7-6-9(12(14,15)16)11(17-10)8-4-2-1-3-5-8/h1-7H
InChIKeyCSALKRNCAVCUMC-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 54.42
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 6-chloro-2-phenyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-chloro-2-phenyl-3-(trifluoromethyl)pyridine (CID 59840819) is 6-chloro-2-phenyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-chloro-2-phenyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-chloro-2-phenyl-3-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(Cl)nc1-c1ccccc1.
What is the InChIKey of 6-chloro-2-phenyl-3-(trifluoromethyl)pyridine?
The InChIKey is CSALKRNCAVCUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N/c13-10-7-6-9(12(14,15)16)11(17-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 6-chloro-2-phenyl-3-(trifluoromethyl)pyridine?
6-chloro-2-phenyl-3-(trifluoromethyl)pyridine has a molecular weight of 257.64 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 59840819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).