1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate

C14H12NO4- — CID 7347203

IUPAC1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate
SMILESCc1cc([O-])c(C(=O)O)c(=O)n1Cc1ccccc1
InChIInChI=1S/C14H13NO4/c1-9-7-11(16)12(14(18)19)13(17)15(9)8-10-5-3-2-4-6-10/h2-7,16H,8H2,1H3,(H,18,19)/p-1
InChIKeyKCGSRCZVJSKNTK-UHFFFAOYSA-M
MW258.25 g/mol
LogP0.98
Rot. Bonds3

About 1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate

1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate (PubChem CID 7347203) has the molecular formula C14H12NO4- and a molecular weight of 258.25 g/mol. Its IUPAC name is 1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate.

Molecular Properties

Compound Name1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate
PubChem CID7347203
Molecular FormulaC14H12NO4-
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate
SMILESCc1cc([O-])c(C(=O)O)c(=O)n1Cc1ccccc1
InChIInChI=1S/C14H13NO4/c1-9-7-11(16)12(14(18)19)13(17)15(9)8-10-5-3-2-4-6-10/h2-7,16H,8H2,1H3,(H,18,19)/p-1
InChIKeyKCGSRCZVJSKNTK-UHFFFAOYSA-M
XLogP0.98
TPSA82.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 23855308
1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067461
1-benzyl-4,6-dimethyl-2-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 23850576
potassium 3-benzyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 23664804
4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylic acid
CID 150169813
2-benzyl-5-chloro-3-methylisoquinolin-1-one
CID 170901947
1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
1,6-dibenzyl-2-imino-7-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid
CID 15316729
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
CID 135737348
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
2-benzyl-8-fluoro-3-methylisoquinolin-1-one
CID 86080289

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate?
The IUPAC name of 1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate (CID 7347203) is 1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate.
What is the SMILES notation for 1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate?
The canonical SMILES for 1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate is Cc1cc([O-])c(C(=O)O)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate?
The InChIKey is KCGSRCZVJSKNTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO4/c1-9-7-11(16)12(14(18)19)13(17)15(9)8-10-5-3-2-4-6-10/h2-7,16H,8H2,1H3,(H,18,19)/p-1.
What are the key properties of 1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate?
1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate has a molecular weight of 258.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-carboxy-6-methyl-2-oxopyridin-4-olate is sourced from PubChem (CID 7347203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).