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

C7H6F3NO — CID 3820787

IUPAC[5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)5-1-2-6(4-12)11-3-5/h1-3,12H,4H2
InChIKeyGVAFEGOUIQFLQH-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.59
Rot. Bonds1

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

[5-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 3820787) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is [5-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID3820787
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name[5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3NO/c8-7(9,10)5-1-2-6(4-12)11-3-5/h1-3,12H,4H2
InChIKeyGVAFEGOUIQFLQH-UHFFFAOYSA-N
XLogP1.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [5-(trifluoromethyl)-2-pyridinyl]methanol (CID 3820787) is [5-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-(trifluoromethyl)-2-pyridinyl]methanol is OCc1ccc(C(F)(F)F)cn1.
What is the InChIKey of [5-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is GVAFEGOUIQFLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)5-1-2-6(4-12)11-3-5/h1-3,12H,4H2.
What are the key properties of [5-(trifluoromethyl)-2-pyridinyl]methanol?
[5-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 177.12 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 3820787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).