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

C13H11NO4 — CID 134914072

IUPACmethyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C13H11NO4/c1-18-13(17)11-9(15)7-10(16)14-12(11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,15,16)
InChIKeyCZMHYMFIKYEOIN-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.53
Rot. Bonds2

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

methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate (PubChem CID 134914072) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
PubChem CID134914072
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Namemethyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C13H11NO4/c1-18-13(17)11-9(15)7-10(16)14-12(11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,15,16)
InChIKeyCZMHYMFIKYEOIN-UHFFFAOYSA-N
XLogP1.53
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Acetamido-3-phenylacrylic acid
CID 6229408
5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282005
2-Hydroxy-6-phenylpyridine-4-carboxylic acid
CID 18422120
Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1,6-dihydropyridine-3-carboxylate
CID 54688712
(z)-Ethyl 3-acetamido-3-phenylacrylate
CID 10868193
(E)-Methyl 3-acetamido-3-phenylacrylate
CID 11310541
2-Propenoic acid, 3-(acetylamino)-3-phenyl-, methyl ester, (2Z)-
CID 11345011
Methyl 6-oxo-2-phenyl-1,6-dihydropyridine-3-carboxylate
CID 13598936
Methyl 2-(4-fluorophenyl)6-hydroxypyridin-3-carboxylate
CID 18324387
methyl 2-(3-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylate
CID 66632328
(E)-3-acetamido-2-fluoro-3-phenylprop-2-enoic acid
CID 68823751
5-ethyl-6-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281783

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate (CID 134914072) is methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate is COC(=O)c1c(O)cc(=O)[nH]c1-c1ccccc1.
What is the InChIKey of methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is CZMHYMFIKYEOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-18-13(17)11-9(15)7-10(16)14-12(11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,15,16).
What are the key properties of methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate?
methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 245.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 134914072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).