1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid

C14H13NO4 — CID 13209212

IUPAC1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)cc1-c1ccc(O)cc1
InChIInChI=1S/C14H13NO4/c1-2-15-8-11(14(18)19)13(17)7-12(15)9-3-5-10(16)6-4-9/h3-8,16H,2H2,1H3,(H,18,19)
InChIKeyWZEVMSQCRFQUGF-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.94
Rot. Bonds3

About 1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid

1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid (PubChem CID 13209212) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid
PubChem CID13209212
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)cc1-c1ccc(O)cc1
InChIInChI=1S/C14H13NO4/c1-2-15-8-11(14(18)19)13(17)7-12(15)9-3-5-10(16)6-4-9/h3-8,16H,2H2,1H3,(H,18,19)
InChIKeyWZEVMSQCRFQUGF-UHFFFAOYSA-N
XLogP1.94
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid (CID 13209212) is 1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)cc1-c1ccc(O)cc1.
What is the InChIKey of 1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid?
The InChIKey is WZEVMSQCRFQUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-2-15-8-11(14(18)19)13(17)7-12(15)9-3-5-10(16)6-4-9/h3-8,16H,2H2,1H3,(H,18,19).
What are the key properties of 1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid?
1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 13209212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).