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

C25H14F8N2O — CID 59342303

IUPAC2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol
SMILESOc1ccccc1Cc1cccc(-c2cccc(-c3cc(C(F)(F)F)c(F)c(C(F)(F)F)c3F)n2)n1
InChIInChI=1S/C25H14F8N2O/c26-22-15(12-16(24(28,29)30)23(27)21(22)25(31,32)33)17-7-4-9-19(35-17)18-8-3-6-14(34-18)11-13-5-1-2-10-20(13)36/h1-10,12,36H,11H2
InChIKeyAJWGCGFKQZPOEH-UHFFFAOYSA-N
MW510.38 g/mol
LogP7.42
Rot. Bonds4

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

2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol (PubChem CID 59342303) has the molecular formula C25H14F8N2O and a molecular weight of 510.38 g/mol. Its IUPAC name is 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol.

Molecular Properties

Compound Name2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol
PubChem CID59342303
Molecular FormulaC25H14F8N2O
Molecular Weight510.38 g/mol
Exact Mass510.10
IUPAC Name2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol
SMILESOc1ccccc1Cc1cccc(-c2cccc(-c3cc(C(F)(F)F)c(F)c(C(F)(F)F)c3F)n2)n1
InChIInChI=1S/C25H14F8N2O/c26-22-15(12-16(24(28,29)30)23(27)21(22)25(31,32)33)17-7-4-9-19(35-17)18-8-3-6-14(34-18)11-13-5-1-2-10-20(13)36/h1-10,12,36H,11H2
InChIKeyAJWGCGFKQZPOEH-UHFFFAOYSA-N
XLogP7.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.38
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[2-(2-Quinolinyl)ethenyl]phenol
CID 2864430
2-(3-Phenylquinoxalin-2-yl)phenol
CID 2065030
2-Fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol
CID 134158354
Quininib
CID 135411330
2-[(Z)-2-quinolin-2-ylethenyl]phenol
CID 136045796
2,6-Bis(3-hydroxyphenyl)-4-phenylpyridine
CID 46887181
3-(2,6-Diphenyl-4-pyridinyl)phenol
CID 46887217
3-[2,6-Bis(3-hydroxyphenyl)-4-pyridinyl]phenol
CID 118710766
2-[2-(3-Hydroxyphenyl)-6-phenyl-4-pyridinyl]phenol
CID 136126547
2-[2-(4-Hydroxyphenyl)-6-phenyl-4-pyridinyl]phenol
CID 136126612
2-[2,6-Bis(2-hydroxyphenyl)-4-pyridinyl]phenol
CID 137100803
2-[6-(2-Hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol
CID 137100804

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol?
The IUPAC name of 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol (CID 59342303) is 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol.
What is the SMILES notation for 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol?
The canonical SMILES for 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol is Oc1ccccc1Cc1cccc(-c2cccc(-c3cc(C(F)(F)F)c(F)c(C(F)(F)F)c3F)n2)n1.
What is the InChIKey of 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol?
The InChIKey is AJWGCGFKQZPOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F8N2O/c26-22-15(12-16(24(28,29)30)23(27)21(22)25(31,32)33)17-7-4-9-19(35-17)18-8-3-6-14(34-18)11-13-5-1-2-10-20(13)36/h1-10,12,36H,11H2.
What are the key properties of 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol?
2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol has a molecular weight of 510.38 g/mol, XLogP of 7.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[6-[2,4-difluoro-3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]methyl]phenol is sourced from PubChem (CID 59342303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).