3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one

C9H8F3NO — CID 171825935

IUPAC3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)(F)F)c1C1CC1
InChIInChI=1S/C9H8F3NO/c10-9(11,12)6-3-4-13-8(14)7(6)5-1-2-5/h3-5H,1-2H2,(H,13,14)
InChIKeyJSIIVFNZTSSKBL-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.27
Rot. Bonds1

About 3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one

3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 171825935) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID171825935
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)(F)F)c1C1CC1
InChIInChI=1S/C9H8F3NO/c10-9(11,12)6-3-4-13-8(14)7(6)5-1-2-5/h3-5H,1-2H2,(H,13,14)
InChIKeyJSIIVFNZTSSKBL-UHFFFAOYSA-N
XLogP2.27
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclopropyl-4-(trifluoromethyl)-1H-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 3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 171825935) is 3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]ccc(C(F)(F)F)c1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JSIIVFNZTSSKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c10-9(11,12)6-3-4-13-8(14)7(6)5-1-2-5/h3-5H,1-2H2,(H,13,14).
What are the key properties of 3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one?
3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 203.16 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 171825935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).