methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C14H13NO4 — CID 134913839

IUPACmethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(=O)[nH]c1Cc1ccccc1
InChIInChI=1S/C14H13NO4/c1-19-14(18)13-10(15-12(17)8-11(13)16)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,15,16,17)
InChIKeySCIFBVGBJSLGJU-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.46
Rot. Bonds3

About methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 134913839) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID134913839
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namemethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(=O)[nH]c1Cc1ccccc1
InChIInChI=1S/C14H13NO4/c1-19-14(18)13-10(15-12(17)8-11(13)16)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,15,16,17)
InChIKeySCIFBVGBJSLGJU-UHFFFAOYSA-N
XLogP1.46
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70690901
Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1,6-dihydropyridine-3-carboxylate
CID 54688712
Methyl 6-oxo-2-phenyl-1,6-dihydropyridine-3-carboxylate
CID 13598936
(1,3-Dihydroxy-5,6-dihydrobenzo[f]quinolin-2-yl)methyl acetate
CID 54704028
ethyl 6-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 71654902
methyl 2-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 91371417
5-(4-fluorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 156197665
3-Benzyl-5-ethoxycarbonyl-4-hydroxy-6-methyLpyridin-2(1H)-on
CID 54705933
6-Hydroxy (methoxy)-2-benzyl-3-hydroxypyridine
CID 129805396
methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 134914072
4-methyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylic acid
CID 304686
methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 54679346

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 134913839) is methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c(O)cc(=O)[nH]c1Cc1ccccc1.
What is the InChIKey of methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is SCIFBVGBJSLGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-19-14(18)13-10(15-12(17)8-11(13)16)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,15,16,17).
What are the key properties of methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 134913839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).