[6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol

C12H8F3NO — CID 172877745

IUPAC[6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(-c2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C12H8F3NO/c13-9-3-8(4-10(14)12(9)15)11-2-1-7(6-17)5-16-11/h1-5,17H,6H2
InChIKeyIEPXGNQNDJUBNZ-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.66
Rot. Bonds2

About [6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol

[6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol (PubChem CID 172877745) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is [6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol
PubChem CID172877745
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name[6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(-c2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C12H8F3NO/c13-9-3-8(4-10(14)12(9)15)11-2-1-7(6-17)5-16-11/h1-5,17H,6H2
InChIKeyIEPXGNQNDJUBNZ-UHFFFAOYSA-N
XLogP2.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol (CID 172877745) is [6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol is OCc1ccc(-c2cc(F)c(F)c(F)c2)nc1.
What is the InChIKey of [6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol?
The InChIKey is IEPXGNQNDJUBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-9-3-8(4-10(14)12(9)15)11-2-1-7(6-17)5-16-11/h1-5,17H,6H2.
What are the key properties of [6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol?
[6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol has a molecular weight of 239.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4,5-trifluorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 172877745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).