methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate

C14H11NO4 — CID 11687512

IUPACmethyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)[nH]c1C(=O)c1ccccc1
InChIInChI=1S/C14H11NO4/c1-19-14(18)10-7-8-11(16)15-12(10)13(17)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16)
InChIKeyYDYIBUORYJYOBG-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.39
Rot. Bonds3

About methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate

methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 11687512) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID11687512
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Namemethyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)[nH]c1C(=O)c1ccccc1
InChIInChI=1S/C14H11NO4/c1-19-14(18)10-7-8-11(16)15-12(10)13(17)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16)
InChIKeyYDYIBUORYJYOBG-UHFFFAOYSA-N
XLogP1.39
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate (CID 11687512) is methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1ccc(=O)[nH]c1C(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is YDYIBUORYJYOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-19-14(18)10-7-8-11(16)15-12(10)13(17)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16).
What are the key properties of methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate?
methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzoyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 11687512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).