5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one

C12H9F2NO — CID 141343284

IUPAC5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one
SMILESCc1cccc(-c2cc(=O)[nH]cc2F)c1F
InChIInChI=1S/C12H9F2NO/c1-7-3-2-4-8(12(7)14)9-5-11(16)15-6-10(9)13/h2-6H,1H3,(H,15,16)
InChIKeyOIIWVJOIRGTRHG-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.63
Rot. Bonds1

About 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one

5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one (PubChem CID 141343284) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one
PubChem CID141343284
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one
SMILESCc1cccc(-c2cc(=O)[nH]cc2F)c1F
InChIInChI=1S/C12H9F2NO/c1-7-3-2-4-8(12(7)14)9-5-11(16)15-6-10(9)13/h2-6H,1H3,(H,15,16)
InChIKeyOIIWVJOIRGTRHG-UHFFFAOYSA-N
XLogP2.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one (CID 141343284) is 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one is Cc1cccc(-c2cc(=O)[nH]cc2F)c1F.
What is the InChIKey of 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one?
The InChIKey is OIIWVJOIRGTRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c1-7-3-2-4-8(12(7)14)9-5-11(16)15-6-10(9)13/h2-6H,1H3,(H,15,16).
What are the key properties of 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one?
5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one has a molecular weight of 221.21 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 141343284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).