1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid

C16H15NO6 — CID 82108106

IUPAC1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid
SMILESCCOC(=O)c1ccc(COn2cccc(C(=O)O)c2=O)cc1
InChIInChI=1S/C16H15NO6/c1-2-22-16(21)12-7-5-11(6-8-12)10-23-17-9-3-4-13(14(17)18)15(19)20/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyRZXDNRJWNVRENT-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.35
Rot. Bonds6

About 1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid

1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid (PubChem CID 82108106) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid
PubChem CID82108106
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid
SMILESCCOC(=O)c1ccc(COn2cccc(C(=O)O)c2=O)cc1
InChIInChI=1S/C16H15NO6/c1-2-22-16(21)12-7-5-11(6-8-12)10-23-17-9-3-4-13(14(17)18)15(19)20/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyRZXDNRJWNVRENT-UHFFFAOYSA-N
XLogP1.35
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid
CID 82108099
ethyl benzoate;phthalic acid
CID 159584831
1-[(4-ethylphenyl)methoxy]-N-(2-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 110382876
N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110383139
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 4058781
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
ethyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 82312048
diethyl benzene-1,4-dicarboxylate;2,3-diethylterephthalic acid
CID 160968833
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
N-(4-carbamoylphenyl)-1-[(4-chlorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382726
methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7189982
3-(4-ethoxycarbonylphenyl)-2-methylbenzoic acid
CID 53227860

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid (CID 82108106) is 1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid is CCOC(=O)c1ccc(COn2cccc(C(=O)O)c2=O)cc1.
What is the InChIKey of 1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid?
The InChIKey is RZXDNRJWNVRENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-2-22-16(21)12-7-5-11(6-8-12)10-23-17-9-3-4-13(14(17)18)15(19)20/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid?
1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82108106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).