methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate

C13H11NO3 — CID 10443789

IUPACmethyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]cc(-c2ccccc2)c1=O
InChIInChI=1S/C13H11NO3/c1-17-13(16)11-8-14-7-10(12(11)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKeyZQSAZDOKTQWSND-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.83
Rot. Bonds2

About methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate

methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate (PubChem CID 10443789) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate
PubChem CID10443789
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Namemethyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]cc(-c2ccccc2)c1=O
InChIInChI=1S/C13H11NO3/c1-17-13(16)11-8-14-7-10(12(11)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKeyZQSAZDOKTQWSND-UHFFFAOYSA-N
XLogP1.83
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 154985382
methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 119084145
methyl 4-(3-aminophenyl)-1H-pyrrole-3-carboxylate
CID 117223553
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 66771917
methyl 6-oxo-3-phenylpyran-2-carboxylate
CID 164686446
methyl 2-phenyl-4-sulfanylbenzoate
CID 54364019
methyl 4-amino-2-phenylbenzoate
CID 15406988
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate
CID 101373230

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate (CID 10443789) is methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]cc(-c2ccccc2)c1=O.
What is the InChIKey of methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is ZQSAZDOKTQWSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-13(16)11-8-14-7-10(12(11)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15).
What are the key properties of methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate?
methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 229.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10443789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).