methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate

C13H9F2NO3 — CID 59377653

IUPACmethyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(-c2cccc(F)c2F)cc1=O
InChIInChI=1S/C13H9F2NO3/c1-19-13(18)8-6-16-10(5-11(8)17)7-3-2-4-9(14)12(7)15/h2-6H,1H3,(H,16,17)
InChIKeyBHYWBDYRPUXLAF-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.11
Rot. Bonds2

About methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate

methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 59377653) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
PubChem CID59377653
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Namemethyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(-c2cccc(F)c2F)cc1=O
InChIInChI=1S/C13H9F2NO3/c1-19-13(18)8-6-16-10(5-11(8)17)7-3-2-4-9(14)12(7)15/h2-6H,1H3,(H,16,17)
InChIKeyBHYWBDYRPUXLAF-UHFFFAOYSA-N
XLogP2.11
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate (CID 59377653) is methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(-c2cccc(F)c2F)cc1=O.
What is the InChIKey of methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is BHYWBDYRPUXLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c1-19-13(18)8-6-16-10(5-11(8)17)7-3-2-4-9(14)12(7)15/h2-6H,1H3,(H,16,17).
What are the key properties of methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate?
methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate has a molecular weight of 265.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3-difluorophenyl)-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 59377653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).