ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate

C14H13NO3 — CID 10332014

IUPACethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(-c2ccccc2)cc1=O
InChIInChI=1S/C14H13NO3/c1-2-18-14(17)11-9-15-12(8-13(11)16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,15,16)
InChIKeyDPJVMQGFKUISGK-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.22
Rot. Bonds3

About ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate

ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate (PubChem CID 10332014) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate
PubChem CID10332014
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Nameethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(-c2ccccc2)cc1=O
InChIInChI=1S/C14H13NO3/c1-2-18-14(17)11-9-15-12(8-13(11)16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,15,16)
InChIKeyDPJVMQGFKUISGK-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-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate
CID 59015787
ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate
CID 155209422
ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 102028571
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305
ethyl 5-[4-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 135021728
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 5-[4-(dimethylamino)phenyl]-2-phenyl-1H-pyrrole-3-carboxylate
CID 170695559
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate
CID 122358497

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate (CID 10332014) is ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate is CCOC(=O)c1c[nH]c(-c2ccccc2)cc1=O.
What is the InChIKey of ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is DPJVMQGFKUISGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-18-14(17)11-9-15-12(8-13(11)16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate?
ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate 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-oxo-6-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10332014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).