1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one

C11H9F3N2O2 — CID 69343595

IUPAC1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)[nH]1.O=c1cccc[nH]1
InChIInChI=1S/C6H4F3NO.C5H5NO/c7-6(8,9)4-2-1-3-5(11)10-4;7-5-3-1-2-4-6-5/h1-3H,(H,10,11);1-4H,(H,6,7)
InChIKeyMBHQKGVSDKLWTM-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.77
Rot. Bonds

About 1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one

1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 69343595) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID69343595
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)[nH]1.O=c1cccc[nH]1
InChIInChI=1S/C6H4F3NO.C5H5NO/c7-6(8,9)4-2-1-3-5(11)10-4;7-5-3-1-2-4-6-5/h1-3H,(H,10,11);1-4H,(H,6,7)
InChIKeyMBHQKGVSDKLWTM-UHFFFAOYSA-N
XLogP1.77
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-Hydroxypyridin-3-yl)acetamide
CID 4605029
N-(1-Methyl-6-oxo-1,6-dihydropyridin-3-yl)acetamide
CID 61151185
N-(2-hydroxypyridin-3-yl)prop-2-enamide
CID 156600118
5-Amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one
CID 60922538
CID 23185161
CID 23185161
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]acetamide
CID 97223378
2,2,2-trifluoro-N-(2-hydroxypyridin-3-yl)acetamide
CID 18672177
5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 68524641
5-(Methylamino)-1-(trifluoromethyl)pyridin-2-one
CID 123383374
5-Amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one
CID 146309484
(2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide
CID 146323214
1-Ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
CID 166840036

Frequently Asked Questions

What is the IUPAC name of 1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one (CID 69343595) is 1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one is O=c1cccc(C(F)(F)F)[nH]1.O=c1cccc[nH]1.
What is the InChIKey of 1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is MBHQKGVSDKLWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO.C5H5NO/c7-6(8,9)4-2-1-3-5(11)10-4;7-5-3-1-2-4-6-5/h1-3H,(H,10,11);1-4H,(H,6,7).
What are the key properties of 1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one?
1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 258.20 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 69343595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).