3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one

C12H7F4NO — CID 133091798

IUPAC3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]ccc(-c2cccc(C(F)(F)F)c2)c1F
InChIInChI=1S/C12H7F4NO/c13-10-9(4-5-17-11(10)18)7-2-1-3-8(6-7)12(14,15)16/h1-6H,(H,17,18)
InChIKeyHJOOUUIDPADPKH-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.20
Rot. Bonds1

About 3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one

3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 133091798) has the molecular formula C12H7F4NO and a molecular weight of 257.19 g/mol. Its IUPAC name is 3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID133091798
Molecular FormulaC12H7F4NO
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]ccc(-c2cccc(C(F)(F)F)c2)c1F
InChIInChI=1S/C12H7F4NO/c13-10-9(4-5-17-11(10)18)7-2-1-3-8(6-7)12(14,15)16/h1-6H,(H,17,18)
InChIKeyHJOOUUIDPADPKH-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-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 1488766
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091903
2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one
CID 162503154
5-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one;hydrochloride
CID 141001712
4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one
CID 118852455
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 117127130
3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 10682335
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 133091798) is 3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1[nH]ccc(-c2cccc(C(F)(F)F)c2)c1F.
What is the InChIKey of 3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is HJOOUUIDPADPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO/c13-10-9(4-5-17-11(10)18)7-2-1-3-8(6-7)12(14,15)16/h1-6H,(H,17,18).
What are the key properties of 3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
3-fluoro-4-[3-(trifluoromethyl)phenyl]-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-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 133091798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).