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

C13H9F4NO — CID 118853520

IUPAC[2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1
InChIInChI=1S/C13H9F4NO/c14-10-4-1-8(2-5-10)12-9(7-19)3-6-11(18-12)13(15,16)17/h1-6,19H,7H2
InChIKeyWKHBEFULVYXDSB-UHFFFAOYSA-N
MW271.21 g/mol
LogP3.40
Rot. Bonds2

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

[2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118853520) has the molecular formula C13H9F4NO and a molecular weight of 271.21 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118853520
Molecular FormulaC13H9F4NO
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name[2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1
InChIInChI=1S/C13H9F4NO/c14-10-4-1-8(2-5-10)12-9(7-19)3-6-11(18-12)13(15,16)17/h1-6,19H,7H2
InChIKeyWKHBEFULVYXDSB-UHFFFAOYSA-N
XLogP3.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 118853520) is [2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol is OCc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is WKHBEFULVYXDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO/c14-10-4-1-8(2-5-10)12-9(7-19)3-6-11(18-12)13(15,16)17/h1-6,19H,7H2.
What are the key properties of [2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol?
[2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 271.21 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118853520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).