3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid

C8H9NO4 — CID 70541227

IUPAC3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCCc1c(C(=O)O)cc(=O)[nH]c1O
InChIInChI=1S/C8H9NO4/c1-2-4-5(8(12)13)3-6(10)9-7(4)11/h3H,2H2,1H3,(H,12,13)(H2,9,10,11)
InChIKeyKOSMJUCTOKWKPF-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.34
Rot. Bonds2

About 3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid

3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 70541227) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID70541227
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCCc1c(C(=O)O)cc(=O)[nH]c1O
InChIInChI=1S/C8H9NO4/c1-2-4-5(8(12)13)3-6(10)9-7(4)11/h3H,2H2,1H3,(H,12,13)(H2,9,10,11)
InChIKeyKOSMJUCTOKWKPF-UHFFFAOYSA-N
XLogP0.34
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid (CID 70541227) is 3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid is CCc1c(C(=O)O)cc(=O)[nH]c1O.
What is the InChIKey of 3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is KOSMJUCTOKWKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-2-4-5(8(12)13)3-6(10)9-7(4)11/h3H,2H2,1H3,(H,12,13)(H2,9,10,11).
What are the key properties of 3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid?
3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 70541227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).