2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine

C20H17F2N — CID 102429109

IUPAC2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2ccnc(-c3ccc(F)cc3F)c2)c(C)c1
InChIInChI=1S/C20H17F2N/c1-12-8-13(2)20(14(3)9-12)15-6-7-23-19(10-15)17-5-4-16(21)11-18(17)22/h4-11H,1-3H3
InChIKeyFVOAEQSEBOAIND-UHFFFAOYSA-N
MW309.36 g/mol
LogP5.62
Rot. Bonds2

About 2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine

2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine (PubChem CID 102429109) has the molecular formula C20H17F2N and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine
PubChem CID102429109
Molecular FormulaC20H17F2N
Molecular Weight309.36 g/mol
Exact Mass309.13
IUPAC Name2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2ccnc(-c3ccc(F)cc3F)c2)c(C)c1
InChIInChI=1S/C20H17F2N/c1-12-8-13(2)20(14(3)9-12)15-6-7-23-19(10-15)17-5-4-16(21)11-18(17)22/h4-11H,1-3H3
InChIKeyFVOAEQSEBOAIND-UHFFFAOYSA-N
XLogP5.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.36
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine (CID 102429109) is 2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine is Cc1cc(C)c(-c2ccnc(-c3ccc(F)cc3F)c2)c(C)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine?
The InChIKey is FVOAEQSEBOAIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N/c1-12-8-13(2)20(14(3)9-12)15-6-7-23-19(10-15)17-5-4-16(21)11-18(17)22/h4-11H,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine?
2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine has a molecular weight of 309.36 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-(2,4,6-trimethylphenyl)pyridine is sourced from PubChem (CID 102429109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).