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

C₈H₆F₅NO₂ — CID 118854545

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

2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118854545) has the molecular formula C₈H₆F₅NO₂ and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-one
• PubChem CID: 118854545
• Molecular Formula: C₈H₆F₅NO₂
• Molecular Weight: 243.13 g/mol
• Exact Mass: 243.03
• IUPAC Name: 2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-one
• SMILES: O=c1c(C(F)(F)F)c[nH]c(C(F)F)c1CO
• InChI: InChI=1S/C8H6F5NO2/c9-7(10)5-3(2-15)6(16)4(1-14-5)8(11,12)13/h1,7,15H,2H2,(H,14,16)
• InChIKey: SCCIFOHMZGNWNM-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 53.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.13
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-one?

The IUPAC name of 2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-one (CID 118854545) is 2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-one.

What is the SMILES notation for 2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-one?

The canonical SMILES for 2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-one is O=c1c(C(F)(F)F)c[nH]c(C(F)F)c1CO.

What is the InChIKey of 2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-one?

The InChIKey is SCCIFOHMZGNWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c9-7(10)5-3(2-15)6(16)4(1-14-5)8(11,12)13/h1,7,15H,2H2,(H,14,16).

What are the key properties of 2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-one?

2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-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 2-(difluoromethyl)-3-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118854545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118854545 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.