3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one

C8H6F5NO2 — CID 130085385

IUPAC3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c(CO)c1C(F)F
InChIInChI=1S/C8H6F5NO2/c9-6(10)5-3(2-15)4(8(11,12)13)1-14-7(5)16/h1,6,15H,2H2,(H,14,16)
InChIKeyJFPBIUBFQBQETQ-UHFFFAOYSA-N
MW243.13 g/mol
LogP1.82
Rot. Bonds2

About 3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one

3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130085385) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130085385
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c(CO)c1C(F)F
InChIInChI=1S/C8H6F5NO2/c9-6(10)5-3(2-15)4(8(11,12)13)1-14-7(5)16/h1,6,15H,2H2,(H,14,16)
InChIKeyJFPBIUBFQBQETQ-UHFFFAOYSA-N
XLogP1.82
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethyl)-4-(hydroxymethyl)-5-(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

Related Compounds

3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130079591
3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 130083415
3-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
CID 130085417
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604
3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one
CID 133102926
3-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130079585
4-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 118817883
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
2-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-4-one
CID 130085038
6-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085380
3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
CID 130083413
3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130104845

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 130085385) is 3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)c(CO)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JFPBIUBFQBQETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c9-6(10)5-3(2-15)4(8(11,12)13)1-14-7(5)16/h1,6,15H,2H2,(H,14,16).
What are the key properties of 3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 243.13 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130085385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).