1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one

C9H10F3NO3 — CID 82850962

IUPAC1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CC(O)CO
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)7-2-1-3-8(16)13(7)4-6(15)5-14/h1-3,6,14-15H,4-5H2
InChIKeyMENQNWVZHGJWIN-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.22
Rot. Bonds3

About 1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one

1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 82850962) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID82850962
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CC(O)CO
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)7-2-1-3-8(16)13(7)4-6(15)5-14/h1-3,6,14-15H,4-5H2
InChIKeyMENQNWVZHGJWIN-UHFFFAOYSA-N
XLogP0.22
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one (CID 82850962) is 1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1CC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is MENQNWVZHGJWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c10-9(11,12)7-2-1-3-8(16)13(7)4-6(15)5-14/h1-3,6,14-15H,4-5H2.
What are the key properties of 1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one?
1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 237.18 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 82850962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).