pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol

C20H13F6NO — CID 56669287

IUPACpyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C20H13F6NO/c21-19(22,23)15-7-3-13(4-8-15)18(28,17-2-1-11-27-12-17)14-5-9-16(10-6-14)20(24,25)26/h1-12,28H
InChIKeyAITDCDBWQPLTSF-UHFFFAOYSA-N
MW397.32 g/mol
LogP5.40
Rot. Bonds3

About pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol

pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol (PubChem CID 56669287) has the molecular formula C20H13F6NO and a molecular weight of 397.32 g/mol. Its IUPAC name is pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namepyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol
PubChem CID56669287
Molecular FormulaC20H13F6NO
Molecular Weight397.32 g/mol
Exact Mass397.09
IUPAC Namepyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C20H13F6NO/c21-19(22,23)15-7-3-13(4-8-15)18(28,17-2-1-11-27-12-17)14-5-9-16(10-6-14)20(24,25)26/h1-12,28H
InChIKeyAITDCDBWQPLTSF-UHFFFAOYSA-N
XLogP5.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.32
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol (CID 56669287) is pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is AITDCDBWQPLTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6NO/c21-19(22,23)15-7-3-13(4-8-15)18(28,17-2-1-11-27-12-17)14-5-9-16(10-6-14)20(24,25)26/h1-12,28H.
What are the key properties of pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol?
pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 397.32 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 56669287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).