2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine

C13H10ClF2N — CID 163268297

IUPAC2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine
SMILESFC(F)c1ccnc(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H10ClF2N/c14-11-3-1-9(2-4-11)7-12-8-10(13(15)16)5-6-17-12/h1-6,8,13H,7H2
InChIKeyYGQWXLFQLWFBEY-UHFFFAOYSA-N
MW253.68 g/mol
LogP4.26
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine

2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine (PubChem CID 163268297) has the molecular formula C13H10ClF2N and a molecular weight of 253.68 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine
PubChem CID163268297
Molecular FormulaC13H10ClF2N
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine
SMILESFC(F)c1ccnc(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H10ClF2N/c14-11-3-1-9(2-4-11)7-12-8-10(13(15)16)5-6-17-12/h1-6,8,13H,7H2
InChIKeyYGQWXLFQLWFBEY-UHFFFAOYSA-N
XLogP4.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine (CID 163268297) is 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine is FC(F)c1ccnc(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine?
The InChIKey is YGQWXLFQLWFBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N/c14-11-3-1-9(2-4-11)7-12-8-10(13(15)16)5-6-17-12/h1-6,8,13H,7H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine?
2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine has a molecular weight of 253.68 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)pyridine is sourced from PubChem (CID 163268297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).