2(1H)-Pyridinone, 6-(trifluoromethyl)-

C6H4F3NO — CID 10154195

IUPAC6-(trifluoromethyl)-1H-pyridin-2-one
SMILESC1=CC(=O)NC(=C1)C(F)(F)F
InChIInChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
InChIKeyXXRUAAOADAPPII-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.10
Rot. Bonds

About 2(1H)-Pyridinone, 6-(trifluoromethyl)-

2(1H)-Pyridinone, 6-(trifluoromethyl)- (PubChem CID 10154195) has the molecular formula C6H4F3NO and a molecular weight of 163.10 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name2(1H)-Pyridinone, 6-(trifluoromethyl)-
PubChem CID10154195
Molecular FormulaC6H4F3NO
Molecular Weight163.10 g/mol
Exact Mass163.02
IUPAC Name6-(trifluoromethyl)-1H-pyridin-2-one
SMILESC1=CC(=O)NC(=C1)C(F)(F)F
InChIInChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
InChIKeyXXRUAAOADAPPII-UHFFFAOYSA-N
XLogP1.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity239

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methylpyridin-2-ol
CID 76772
2-Fluoro-6-hydroxypyridine
CID 2762887
3-Iodo-6-(trifluoromethyl)pyridin-2-ol
CID 46318013
5-Fluoro-6-methylpyridin-2(1H)-one
CID 72212935
4-Iodo-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 118704344
5-Chloro-6-(trifluoromethyl)pyridin-2-ol
CID 72183134
5-Methylene-3-pyrrolin-2-one
CID 13795019
6-[chloro(difluoro)methyl]-1H-pyridin-2-one
CID 10261690
6-(Difluoromethyl)pyridin-2(1H)-one
CID 10441812
2(1H)-Pyridinone, 6-(fluoromethyl)-
CID 10464359
3,5-difluoro-6-methyl-1H-pyridin-2-one
CID 20602953
2(1H)-Pyridinone, 6-methyl-3-(trifluoromethyl)-
CID 20767670

Frequently Asked Questions

What is the IUPAC name of 2(1H)-Pyridinone, 6-(trifluoromethyl)-?
The IUPAC name of 2(1H)-Pyridinone, 6-(trifluoromethyl)- (CID 10154195) is 6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 2(1H)-Pyridinone, 6-(trifluoromethyl)-?
The canonical SMILES for 2(1H)-Pyridinone, 6-(trifluoromethyl)- is C1=CC(=O)NC(=C1)C(F)(F)F.
What is the InChIKey of 2(1H)-Pyridinone, 6-(trifluoromethyl)-?
The InChIKey is XXRUAAOADAPPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11).
What are the key properties of 2(1H)-Pyridinone, 6-(trifluoromethyl)-?
2(1H)-Pyridinone, 6-(trifluoromethyl)- has a molecular weight of 163.10 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2(1H)-Pyridinone, 6-(trifluoromethyl)- is sourced from PubChem (CID 10154195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).