ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate

C14H13NO3 — CID 122358497

IUPACethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate
SMILESCCOC(=O)c1cccc(-c2ccc(=O)[nH]c2)c1
InChIInChI=1S/C14H13NO3/c1-2-18-14(17)11-5-3-4-10(8-11)12-6-7-13(16)15-9-12/h3-9H,2H2,1H3,(H,15,16)
InChIKeyOGWPKVNGGNRRIL-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.22
Rot. Bonds3

About ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate

ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate (PubChem CID 122358497) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate
PubChem CID122358497
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Nameethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate
SMILESCCOC(=O)c1cccc(-c2ccc(=O)[nH]c2)c1
InChIInChI=1S/C14H13NO3/c1-2-18-14(17)11-5-3-4-10(8-11)12-6-7-13(16)15-9-12/h3-9H,2H2,1H3,(H,15,16)
InChIKeyOGWPKVNGGNRRIL-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 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 3-(3,4-diaminophenyl)benzoate
CID 154094188
sodium ethyl 6-oxo-1H-pyridine-3-carboxylate
CID 54606839
diethyl benzene-1,3-dicarboxylate
CID 12491
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 3-(2-methylphenyl)benzoate
CID 161279352
ethyl 3-[4-[4-(trifluoromethylsulfonyloxy)phenyl]phenyl]benzoate
CID 134944481
ethyl 3-acetylbenzoate
CID 11298463
ethyl 3-(2-bromophenyl)benzoate
CID 58730981
ethyl 3-thiophen-2-ylbenzoate
CID 162653930
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate?
The IUPAC name of ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate (CID 122358497) is ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate.
What is the SMILES notation for ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate?
The canonical SMILES for ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate is CCOC(=O)c1cccc(-c2ccc(=O)[nH]c2)c1.
What is the InChIKey of ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate?
The InChIKey is OGWPKVNGGNRRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-18-14(17)11-5-3-4-10(8-11)12-6-7-13(16)15-9-12/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate?
ethyl 3-(6-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 3-(6-oxo-1H-pyridin-3-yl)benzoate is sourced from PubChem (CID 122358497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).