4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid

C13H11F2NO3 — CID 68830561

IUPAC4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccc(F)c2F)CC(=O)N1
InChIInChI=1S/C13H11F2NO3/c1-6-11(13(18)19)8(5-10(17)16-6)7-3-2-4-9(14)12(7)15/h2-4,8H,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyBAKGEOJJZXTHCL-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.93
Rot. Bonds2

About 4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid

4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (PubChem CID 68830561) has the molecular formula C13H11F2NO3 and a molecular weight of 267.23 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
PubChem CID68830561
Molecular FormulaC13H11F2NO3
Molecular Weight267.23 g/mol
Exact Mass267.07
IUPAC Name4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccc(F)c2F)CC(=O)N1
InChIInChI=1S/C13H11F2NO3/c1-6-11(13(18)19)8(5-10(17)16-6)7-3-2-4-9(14)12(7)15/h2-4,8H,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyBAKGEOJJZXTHCL-UHFFFAOYSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The IUPAC name of 4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (CID 68830561) is 4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The canonical SMILES for 4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid is CC1=C(C(=O)O)C(c2cccc(F)c2F)CC(=O)N1.
What is the InChIKey of 4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The InChIKey is BAKGEOJJZXTHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3/c1-6-11(13(18)19)8(5-10(17)16-6)7-3-2-4-9(14)12(7)15/h2-4,8H,5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid has a molecular weight of 267.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid is sourced from PubChem (CID 68830561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).