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

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Related Compounds

2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine
CID 58401085
2-[2,3-difluoro-4-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine
CID 20663203
2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-methylpyridine
CID 71045655
5-methyl-2-(3,4,5-trifluorophenyl)pyridine
CID 168823076
1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene
CID 152897168
2-(2,3-difluoro-4-methoxyphenyl)-5-methylpyridine
CID 19910946
2-(3-fluoro-5-methylphenyl)-5-methylpyridine
CID 147408011
9-[3,5-bis(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octafluoro-10-[3-methyl-5-(trifluoromethyl)phenyl]anthracene
CID 166974251
3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine
CID 121289152
2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
CID 70985275
5-methyl-2-[3-methyl-5-(5-methyl-2-pyridinyl)phenyl]pyridine
CID 58637248
2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine
CID 59330238

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).