4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one

C11H6F3NO — CID 118852455

IUPAC4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(-c2cccc(F)c2F)c1F
InChIInChI=1S/C11H6F3NO/c12-8-3-1-2-6(9(8)13)7-4-5-15-11(16)10(7)14/h1-5H,(H,15,16)
InChIKeyJNMJKOIMMPZWSC-UHFFFAOYSA-N
MW225.17 g/mol
LogP2.46
Rot. Bonds1

About 4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one

4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one (PubChem CID 118852455) has the molecular formula C11H6F3NO and a molecular weight of 225.17 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one
PubChem CID118852455
Molecular FormulaC11H6F3NO
Molecular Weight225.17 g/mol
Exact Mass225.04
IUPAC Name4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(-c2cccc(F)c2F)c1F
InChIInChI=1S/C11H6F3NO/c12-8-3-1-2-6(9(8)13)7-4-5-15-11(16)10(7)14/h1-5H,(H,15,16)
InChIKeyJNMJKOIMMPZWSC-UHFFFAOYSA-N
XLogP2.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one (CID 118852455) is 4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one is O=c1[nH]ccc(-c2cccc(F)c2F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one?
The InChIKey is JNMJKOIMMPZWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO/c12-8-3-1-2-6(9(8)13)7-4-5-15-11(16)10(7)14/h1-5H,(H,15,16).
What are the key properties of 4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one?
4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one has a molecular weight of 225.17 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 118852455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).