[2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol

C15H11F6NO — CID 22250820

IUPAC[2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1CO
InChIInChI=1S/C15H11F6NO/c1-8-11(7-23)12(15(19,20)21)6-13(22-8)9-2-4-10(5-3-9)14(16,17)18/h2-6,23H,7H2,1H3
InChIKeyAGXCXWUAOORRQH-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.59
Rot. Bonds2

About [2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol

[2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol (PubChem CID 22250820) has the molecular formula C15H11F6NO and a molecular weight of 335.25 g/mol. Its IUPAC name is [2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
PubChem CID22250820
Molecular FormulaC15H11F6NO
Molecular Weight335.25 g/mol
Exact Mass335.07
IUPAC Name[2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1CO
InChIInChI=1S/C15H11F6NO/c1-8-11(7-23)12(15(19,20)21)6-13(22-8)9-2-4-10(5-3-9)14(16,17)18/h2-6,23H,7H2,1H3
InChIKeyAGXCXWUAOORRQH-UHFFFAOYSA-N
XLogP4.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol?
The IUPAC name of [2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol (CID 22250820) is [2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol?
The canonical SMILES for [2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol is Cc1nc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1CO.
What is the InChIKey of [2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol?
The InChIKey is AGXCXWUAOORRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO/c1-8-11(7-23)12(15(19,20)21)6-13(22-8)9-2-4-10(5-3-9)14(16,17)18/h2-6,23H,7H2,1H3.
What are the key properties of [2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol?
[2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol has a molecular weight of 335.25 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol is sourced from PubChem (CID 22250820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).