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

C7H6F3NO2 — CID 57040503

IUPAC[5-(trifluoromethyl)-2-pyridinyl]oxymethanol
SMILESOCOc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-1-2-6(11-3-5)13-4-12/h1-3,12H,4H2
InChIKeyFMTZDVQKDIQPJS-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.43
Rot. Bonds2

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

[5-(trifluoromethyl)-2-pyridinyl]oxymethanol (PubChem CID 57040503) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is [5-(trifluoromethyl)-2-pyridinyl]oxymethanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)-2-pyridinyl]oxymethanol
PubChem CID57040503
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name[5-(trifluoromethyl)-2-pyridinyl]oxymethanol
SMILESOCOc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-1-2-6(11-3-5)13-4-12/h1-3,12H,4H2
InChIKeyFMTZDVQKDIQPJS-UHFFFAOYSA-N
XLogP1.43
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-2-pyridinyl]oxymethanol?
The IUPAC name of [5-(trifluoromethyl)-2-pyridinyl]oxymethanol (CID 57040503) is [5-(trifluoromethyl)-2-pyridinyl]oxymethanol.
What is the SMILES notation for [5-(trifluoromethyl)-2-pyridinyl]oxymethanol?
The canonical SMILES for [5-(trifluoromethyl)-2-pyridinyl]oxymethanol is OCOc1ccc(C(F)(F)F)cn1.
What is the InChIKey of [5-(trifluoromethyl)-2-pyridinyl]oxymethanol?
The InChIKey is FMTZDVQKDIQPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)5-1-2-6(11-3-5)13-4-12/h1-3,12H,4H2.
What are the key properties of [5-(trifluoromethyl)-2-pyridinyl]oxymethanol?
[5-(trifluoromethyl)-2-pyridinyl]oxymethanol has a molecular weight of 193.12 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-2-pyridinyl]oxymethanol is sourced from PubChem (CID 57040503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).