4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine

C18H13F2N — CID 46901616

IUPAC4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine
SMILESFc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1F
InChIInChI=1S/C18H13F2N/c19-17-6-5-16(12-18(17)20)15-3-1-13(2-4-15)11-14-7-9-21-10-8-14/h1-10,12H,11H2
InChIKeyKREPMUWCVWQPGH-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.62
Rot. Bonds3

About 4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine

4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine (PubChem CID 46901616) has the molecular formula C18H13F2N and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine
PubChem CID46901616
Molecular FormulaC18H13F2N
Molecular Weight281.31 g/mol
Exact Mass281.10
IUPAC Name4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine
SMILESFc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1F
InChIInChI=1S/C18H13F2N/c19-17-6-5-16(12-18(17)20)15-3-1-13(2-4-15)11-14-7-9-21-10-8-14/h1-10,12H,11H2
InChIKeyKREPMUWCVWQPGH-UHFFFAOYSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine?
The IUPAC name of 4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine (CID 46901616) is 4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine.
What is the SMILES notation for 4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine?
The canonical SMILES for 4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine is Fc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1F.
What is the InChIKey of 4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine?
The InChIKey is KREPMUWCVWQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N/c19-17-6-5-16(12-18(17)20)15-3-1-13(2-4-15)11-14-7-9-21-10-8-14/h1-10,12H,11H2.
What are the key properties of 4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine?
4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine has a molecular weight of 281.31 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,4-difluorophenyl)phenyl]methyl]pyridine is sourced from PubChem (CID 46901616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).