3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol

C10H10F3NO2 — CID 169454116

IUPAC3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
SMILESCOc1ncc(C(F)(F)F)cc1C=CCO
InChIInChI=1S/C10H10F3NO2/c1-16-9-7(3-2-4-15)5-8(6-14-9)10(11,12)13/h2-3,5-6,15H,4H2,1H3
InChIKeyHOZDLYUCRUFEBV-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.11
Rot. Bonds3

About 3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol

3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol (PubChem CID 169454116) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
PubChem CID169454116
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
SMILESCOc1ncc(C(F)(F)F)cc1C=CCO
InChIInChI=1S/C10H10F3NO2/c1-16-9-7(3-2-4-15)5-8(6-14-9)10(11,12)13/h2-3,5-6,15H,4H2,1H3
InChIKeyHOZDLYUCRUFEBV-UHFFFAOYSA-N
XLogP2.11
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol?
The IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol (CID 169454116) is 3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol?
The canonical SMILES for 3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol is COc1ncc(C(F)(F)F)cc1C=CCO.
What is the InChIKey of 3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol?
The InChIKey is HOZDLYUCRUFEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-16-9-7(3-2-4-15)5-8(6-14-9)10(11,12)13/h2-3,5-6,15H,4H2,1H3.
What are the key properties of 3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol?
3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol has a molecular weight of 233.19 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol is sourced from PubChem (CID 169454116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).