(2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol

C27H19F7N2O — CID 59645702

IUPAC(2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol
SMILESCC(C)(c1cccc(-c2ccc(F)c(C(F)(F)F)c2F)n1)c1cccc(C(O)c2ccc(F)cc2F)n1
InChIInChI=1S/C27H19F7N2O/c1-26(2,22-8-4-6-20(36-22)25(37)15-10-9-14(28)13-18(15)30)21-7-3-5-19(35-21)16-11-12-17(29)23(24(16)31)27(32,33)34/h3-13,25,37H,1-2H3
InChIKeyXLRPUSDPTQUDOF-UHFFFAOYSA-N
MW520.45 g/mol
LogP7.13
Rot. Bonds5

About (2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol

(2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol (PubChem CID 59645702) has the molecular formula C27H19F7N2O and a molecular weight of 520.45 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol
PubChem CID59645702
Molecular FormulaC27H19F7N2O
Molecular Weight520.45 g/mol
Exact Mass520.14
IUPAC Name(2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol
SMILESCC(C)(c1cccc(-c2ccc(F)c(C(F)(F)F)c2F)n1)c1cccc(C(O)c2ccc(F)cc2F)n1
InChIInChI=1S/C27H19F7N2O/c1-26(2,22-8-4-6-20(36-22)25(37)15-10-9-14(28)13-18(15)30)21-7-3-5-19(35-21)16-11-12-17(29)23(24(16)31)27(32,33)34/h3-13,25,37H,1-2H3
InChIKeyXLRPUSDPTQUDOF-UHFFFAOYSA-N
XLogP7.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.45
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-Adamantyl)-2-quinolyl]-(4-fluorophenyl)methanol
CID 118731608
(S)-[(2S)-1-benzyl-2-piperidyl]-[2,8-bis(trifluoromethyl)-4-quinolyl]methanol
CID 16728112
(S)-[(2S)-1-allyl-2-piperidyl]-[2,8-bis(trifluoromethyl)-4-quinolyl]methanol
CID 16728113
[2,6-Bis[4-(trifluoromethyl)phenyl]-4-pyridyl]-(2-piperidyl)methanol
CID 432273
alpha-Mono-n-butylaminomethyl-2-p-trifluoromethylphenyl-6-p-trifluoromethylstyryl-4-pyridinemethanol
CID 5379854
alpha-(2-(Dibutylamino)ethyl)-2,6-bis(4-(trifluoromethyl)phenyl)-4-pyridinemethanol
CID 432277
1-(4-Trifluoromethylphenyl)-1-(6,7,8,9-tetrahydro-3-methyl-5H-cyclohepta[b]pyrid-2-yl)methanol
CID 10382295
2-(Dibutylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol
CID 90669382
WR 148946
CID 155135
1-[2,6-Bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(butylamino)ethanol
CID 432272
1-{2,6-Bis[3-(trifluoromethyl)phenyl]pyridin-4-yl}-2-(butylamino)ethanol
CID 474471
1-[7-Fluoro-2-(4-fluorophenyl)quinolin-4-yl]-2-piperidin-1-ylethanol
CID 90669181

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol?
The IUPAC name of (2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol (CID 59645702) is (2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol.
What is the SMILES notation for (2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol?
The canonical SMILES for (2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol is CC(C)(c1cccc(-c2ccc(F)c(C(F)(F)F)c2F)n1)c1cccc(C(O)c2ccc(F)cc2F)n1.
What is the InChIKey of (2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol?
The InChIKey is XLRPUSDPTQUDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F7N2O/c1-26(2,22-8-4-6-20(36-22)25(37)15-10-9-14(28)13-18(15)30)21-7-3-5-19(35-21)16-11-12-17(29)23(24(16)31)27(32,33)34/h3-13,25,37H,1-2H3.
What are the key properties of (2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol?
(2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol has a molecular weight of 520.45 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 59645702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).