3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C12H7F4NO — CID 46312799

IUPAC3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1-c1cccc(F)c1
InChIInChI=1S/C12H7F4NO/c13-8-3-1-2-7(6-8)9-4-5-10(12(14,15)16)17-11(9)18/h1-6H,(H,17,18)
InChIKeyMZZPOSDQWNQBSE-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.20
Rot. Bonds1

About 3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 46312799) has the molecular formula C12H7F4NO and a molecular weight of 257.19 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID46312799
Molecular FormulaC12H7F4NO
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1-c1cccc(F)c1
InChIInChI=1S/C12H7F4NO/c13-8-3-1-2-7(6-8)9-4-5-10(12(14,15)16)17-11(9)18/h1-6H,(H,17,18)
InChIKeyMZZPOSDQWNQBSE-UHFFFAOYSA-N
XLogP3.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene
CID 46312833
3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133092420
2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile
CID 46313217
1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene
CID 46312827
4-(3-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000859
4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 134375602
3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 176902560
2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571
4-ethynyl-2-(3-fluorophenyl)-1-(trifluoromethyl)benzene
CID 166642994
4-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 138970595
(E)-3-[2-(3-fluorophenyl)-5-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 46313346
5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 84696567

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 46312799) is 3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)ccc1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is MZZPOSDQWNQBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO/c13-8-3-1-2-7(6-8)9-4-5-10(12(14,15)16)17-11(9)18/h1-6H,(H,17,18).
What are the key properties of 3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 257.19 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 46312799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).