ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate

C14H13NO3 — CID 53218078

IUPACethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc[nH]c2=O)cc1
InChIInChI=1S/C14H13NO3/c1-2-18-14(17)11-7-5-10(6-8-11)12-4-3-9-15-13(12)16/h3-9H,2H2,1H3,(H,15,16)
InChIKeyVVFYQMNUCBANBF-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.22
Rot. Bonds3

About ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate

ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate (PubChem CID 53218078) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate
PubChem CID53218078
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Nameethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc[nH]c2=O)cc1
InChIInChI=1S/C14H13NO3/c1-2-18-14(17)11-7-5-10(6-8-11)12-4-3-9-15-13(12)16/h3-9H,2H2,1H3,(H,15,16)
InChIKeyVVFYQMNUCBANBF-UHFFFAOYSA-N
XLogP2.22
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-phosphanylphenyl)benzoate
CID 22374006
ethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate
CID 14857376
3-(4-ethoxycarbonylphenyl)-2-methylbenzoic acid
CID 53227860
ethyl 2-(4-ethoxycarbonylphenyl)-6-fluorobenzoate
CID 102026387
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407671
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
6-ethoxycarbonylazulene-2-carboxylic acid
CID 90906304
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate?
The IUPAC name of ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate (CID 53218078) is ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate?
The canonical SMILES for ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate is CCOC(=O)c1ccc(-c2ccc[nH]c2=O)cc1.
What is the InChIKey of ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate?
The InChIKey is VVFYQMNUCBANBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-18-14(17)11-7-5-10(6-8-11)12-4-3-9-15-13(12)16/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate?
ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate has a molecular weight of 243.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate is sourced from PubChem (CID 53218078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).