2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol

C24H15F5N2O — CID 58004398

IUPAC2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol
SMILESOc1ccccc1Cc1cccc(-c2cc(-c3ccccn3)c(F)c(C(F)(F)F)c2F)n1
InChIInChI=1S/C24H15F5N2O/c25-22-16(18-8-3-4-11-30-18)13-17(23(26)21(22)24(27,28)29)19-9-5-7-15(31-19)12-14-6-1-2-10-20(14)32/h1-11,13,32H,12H2
InChIKeyGCKXFGNBZWIVOU-UHFFFAOYSA-N
MW442.39 g/mol
LogP6.40
Rot. Bonds4

About 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol

2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol (PubChem CID 58004398) has the molecular formula C24H15F5N2O and a molecular weight of 442.39 g/mol. Its IUPAC name is 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol.

Molecular Properties

Compound Name2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol
PubChem CID58004398
Molecular FormulaC24H15F5N2O
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC Name2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol
SMILESOc1ccccc1Cc1cccc(-c2cc(-c3ccccn3)c(F)c(C(F)(F)F)c2F)n1
InChIInChI=1S/C24H15F5N2O/c25-22-16(18-8-3-4-11-30-18)13-17(23(26)21(22)24(27,28)29)19-9-5-7-15(31-19)12-14-6-1-2-10-20(14)32/h1-11,13,32H,12H2
InChIKeyGCKXFGNBZWIVOU-UHFFFAOYSA-N
XLogP6.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.39
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
NoName_714
CID 135489221
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
4-(Pyridin-2-ylmethyl)phenol
CID 603599
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
3-(4-Hydroxybenzylidene)anabaseine
CID 135530053
2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol
CID 135616214
2-[4-(4-Aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol
CID 140836984
Vrk-IN-1
CID 155511407
4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridin-2-ylphenol
CID 155528448

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol?
The IUPAC name of 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol (CID 58004398) is 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol.
What is the SMILES notation for 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol?
The canonical SMILES for 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol is Oc1ccccc1Cc1cccc(-c2cc(-c3ccccn3)c(F)c(C(F)(F)F)c2F)n1.
What is the InChIKey of 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol?
The InChIKey is GCKXFGNBZWIVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F5N2O/c25-22-16(18-8-3-4-11-30-18)13-17(23(26)21(22)24(27,28)29)19-9-5-7-15(31-19)12-14-6-1-2-10-20(14)32/h1-11,13,32H,12H2.
What are the key properties of 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol?
2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol has a molecular weight of 442.39 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]phenol is sourced from PubChem (CID 58004398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).