3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one

C9H8F3NO2 — CID 169453901

IUPAC3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1C=CCO
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)7-4-6(2-1-3-14)8(15)13-5-7/h1-2,4-5,14H,3H2,(H,13,15)
InChIKeyNEBPOPOBELLOJH-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.40
Rot. Bonds2

About 3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one

3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 169453901) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID169453901
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1C=CCO
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)7-4-6(2-1-3-14)8(15)13-5-7/h1-2,4-5,14H,3H2,(H,13,15)
InChIKeyNEBPOPOBELLOJH-UHFFFAOYSA-N
XLogP1.40
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 169453901) is 3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)cc1C=CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is NEBPOPOBELLOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-9(11,12)7-4-6(2-1-3-14)8(15)13-5-7/h1-2,4-5,14H,3H2,(H,13,15).
What are the key properties of 3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 219.16 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-enyl)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 169453901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).