[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol

C8H8F3NO2 — CID 11715423

IUPAC[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCOc1ncc(CO)cc1C(F)(F)F
InChIInChI=1S/C8H8F3NO2/c1-14-7-6(8(9,10)11)2-5(4-13)3-12-7/h2-3,13H,4H2,1H3
InChIKeyXVQMJTDLNRIYHV-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.60
Rot. Bonds2

About [6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol

[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 11715423) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is [6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID11715423
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCOc1ncc(CO)cc1C(F)(F)F
InChIInChI=1S/C8H8F3NO2/c1-14-7-6(8(9,10)11)2-5(4-13)3-12-7/h2-3,13H,4H2,1H3
InChIKeyXVQMJTDLNRIYHV-UHFFFAOYSA-N
XLogP1.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol (CID 11715423) is [6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol is COc1ncc(CO)cc1C(F)(F)F.
What is the InChIKey of [6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is XVQMJTDLNRIYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-14-7-6(8(9,10)11)2-5(4-13)3-12-7/h2-3,13H,4H2,1H3.
What are the key properties of [6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol?
[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 207.15 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 11715423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).