2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine

C20H11F8N — CID 58239787

IUPAC2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine
SMILESCc1ccc(-c2ccc(F)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2F)nc1
InChIInChI=1S/C20H11F8N/c1-10-2-5-16(29-9-10)14-3-4-15(21)17(18(14)22)11-6-12(19(23,24)25)8-13(7-11)20(26,27)28/h2-9H,1H3
InChIKeyKBRPQLMIXYJULA-UHFFFAOYSA-N
MW417.30 g/mol
LogP7.04
Rot. Bonds2

About 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine

2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine (PubChem CID 58239787) has the molecular formula C20H11F8N and a molecular weight of 417.30 g/mol. Its IUPAC name is 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine
PubChem CID58239787
Molecular FormulaC20H11F8N
Molecular Weight417.30 g/mol
Exact Mass417.08
IUPAC Name2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine
SMILESCc1ccc(-c2ccc(F)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2F)nc1
InChIInChI=1S/C20H11F8N/c1-10-2-5-16(29-9-10)14-3-4-15(21)17(18(14)22)11-6-12(19(23,24)25)8-13(7-11)20(26,27)28/h2-9H,1H3
InChIKeyKBRPQLMIXYJULA-UHFFFAOYSA-N
XLogP7.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.30
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine 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-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine?
The IUPAC name of 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine (CID 58239787) is 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine.
What is the SMILES notation for 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine?
The canonical SMILES for 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine is Cc1ccc(-c2ccc(F)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2F)nc1.
What is the InChIKey of 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine?
The InChIKey is KBRPQLMIXYJULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F8N/c1-10-2-5-16(29-9-10)14-3-4-15(21)17(18(14)22)11-6-12(19(23,24)25)8-13(7-11)20(26,27)28/h2-9H,1H3.
What are the key properties of 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine?
2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine has a molecular weight of 417.30 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine is sourced from PubChem (CID 58239787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).