2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine

C25H12F10N2 — CID 167261697

IUPAC2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine
SMILESFc1cc(F)c(-c2ccc(C(F)(F)F)cn2)c(Cc2cc(F)cc(F)c2-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C25H12F10N2/c26-16-6-12(22(18(28)8-16)20-3-1-14(10-36-20)24(30,31)32)5-13-7-17(27)9-19(29)23(13)21-4-2-15(11-37-21)25(33,34)35/h1-4,6-11H,5H2
InChIKeyKZQBIFXULDUWGL-UHFFFAOYSA-N
MW530.37 g/mol
LogP8.00
Rot. Bonds4

About 2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine

2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine (PubChem CID 167261697) has the molecular formula C25H12F10N2 and a molecular weight of 530.37 g/mol. Its IUPAC name is 2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine
PubChem CID167261697
Molecular FormulaC25H12F10N2
Molecular Weight530.37 g/mol
Exact Mass530.08
IUPAC Name2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine
SMILESFc1cc(F)c(-c2ccc(C(F)(F)F)cn2)c(Cc2cc(F)cc(F)c2-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C25H12F10N2/c26-16-6-12(22(18(28)8-16)20-3-1-14(10-36-20)24(30,31)32)5-13-7-17(27)9-19(29)23(13)21-4-2-15(11-37-21)25(33,34)35/h1-4,6-11H,5H2
InChIKeyKZQBIFXULDUWGL-UHFFFAOYSA-N
XLogP8.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.37
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909123
2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
CID 70985275
bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);4-fluoro-2-(4-fluoro-2-pyridinyl)pyridine;iridium(3+);hexafluorophosphate
CID 165430905
2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 143209795
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine
CID 118813630
[5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 63673671
iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
CID 173119875
5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane
CID 172606670
2-(2-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087921
2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105089225
5-fluoro-7-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169116945
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
CID 58432818

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine (CID 167261697) is 2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine is Fc1cc(F)c(-c2ccc(C(F)(F)F)cn2)c(Cc2cc(F)cc(F)c2-c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is KZQBIFXULDUWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H12F10N2/c26-16-6-12(22(18(28)8-16)20-3-1-14(10-36-20)24(30,31)32)5-13-7-17(27)9-19(29)23(13)21-4-2-15(11-37-21)25(33,34)35/h1-4,6-11H,5H2.
What are the key properties of 2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine?
2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 530.37 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-4,6-difluorophenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 167261697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).