[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol

C7H5F4NO — CID 84820125

IUPAC[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(F)cc1C(F)(F)F
InChIInChI=1S/C7H5F4NO/c8-4-1-5(7(9,10)11)6(3-13)12-2-4/h1-2,13H,3H2
InChIKeySEPDTNNSQMVPJE-UHFFFAOYSA-N
MW195.11 g/mol
LogP1.73
Rot. Bonds1

About [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol

[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 84820125) has the molecular formula C7H5F4NO and a molecular weight of 195.11 g/mol. Its IUPAC name is [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID84820125
Molecular FormulaC7H5F4NO
Molecular Weight195.11 g/mol
Exact Mass195.03
IUPAC Name[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(F)cc1C(F)(F)F
InChIInChI=1S/C7H5F4NO/c8-4-1-5(7(9,10)11)6(3-13)12-2-4/h1-2,13H,3H2
InChIKeySEPDTNNSQMVPJE-UHFFFAOYSA-N
XLogP1.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol (CID 84820125) is [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol is OCc1ncc(F)cc1C(F)(F)F.
What is the InChIKey of [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is SEPDTNNSQMVPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO/c8-4-1-5(7(9,10)11)6(3-13)12-2-4/h1-2,13H,3H2.
What are the key properties of [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol?
[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 195.11 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-3-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 84820125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).