1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid

C14H13NO4 — CID 82121141

IUPAC1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCCOc1ccc(-n2cccc(C(=O)O)c2=O)cc1
InChIInChI=1S/C14H13NO4/c1-2-19-11-7-5-10(6-8-11)15-9-3-4-12(13(15)16)14(17)18/h3-9H,2H2,1H3,(H,17,18)
InChIKeyGKNBOKNSDPVJNC-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.93
Rot. Bonds4

About 1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid

1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 82121141) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid
PubChem CID82121141
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCCOc1ccc(-n2cccc(C(=O)O)c2=O)cc1
InChIInChI=1S/C14H13NO4/c1-2-19-11-7-5-10(6-8-11)15-9-3-4-12(13(15)16)14(17)18/h3-9H,2H2,1H3,(H,17,18)
InChIKeyGKNBOKNSDPVJNC-UHFFFAOYSA-N
XLogP1.93
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-oxopyridine-3-carboxylic acid
CID 21081527
1-(4-methylphenyl)-3-propanoylpyridin-2-one
CID 123475879
3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid
CID 150759629
1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82301662
2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
CID 20992517
1-(4-ethoxyphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82086071
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide
CID 51369913
1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
CID 53118323
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118435
1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118262
1-(4-ethoxyphenyl)-4-prop-2-enylpyrazine-2,3-dione
CID 7286919
1-(1,3-benzodioxol-5-yl)-2-oxopyridine-3-carboxylic acid
CID 82121117

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid (CID 82121141) is 1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid is CCOc1ccc(-n2cccc(C(=O)O)c2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is GKNBOKNSDPVJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-2-19-11-7-5-10(6-8-11)15-9-3-4-12(13(15)16)14(17)18/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid?
1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82121141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).