5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one

C8H6F5NO2 — CID 130083367

IUPAC5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)c(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H6F5NO2/c1-16-7-3(5(9)10)2-4(6(15)14-7)8(11,12)13/h2,5H,1H3,(H,14,15)
InChIKeyNGTPGTVKZVPTCF-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.34
Rot. Bonds2

About 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one

5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130083367) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130083367
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)c(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H6F5NO2/c1-16-7-3(5(9)10)2-4(6(15)14-7)8(11,12)13/h2,5H,1H3,(H,14,15)
InChIKeyNGTPGTVKZVPTCF-UHFFFAOYSA-N
XLogP2.34
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(difluoromethyl)-6-methoxy-3-(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 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one (CID 130083367) is 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one is COc1[nH]c(=O)c(C(F)(F)F)cc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is NGTPGTVKZVPTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c1-16-7-3(5(9)10)2-4(6(15)14-7)8(11,12)13/h2,5H,1H3,(H,14,15).
What are the key properties of 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one?
5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 243.13 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130083367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).