2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid

C10H11NO4 — CID 18179614

IUPAC2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid
SMILESCCC(=O)Cn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C10H11NO4/c1-2-8(12)6-11-4-3-7(10(14)15)5-9(11)13/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyYBOCUUJAKOPOGC-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.53
Rot. Bonds4

About 2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid

2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid (PubChem CID 18179614) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid
PubChem CID18179614
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid
SMILESCCC(=O)Cn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C10H11NO4/c1-2-8(12)6-11-4-3-7(10(14)15)5-9(11)13/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyYBOCUUJAKOPOGC-UHFFFAOYSA-N
XLogP0.53
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid (CID 18179614) is 2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid is CCC(=O)Cn1ccc(C(=O)O)cc1=O.
What is the InChIKey of 2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid?
The InChIKey is YBOCUUJAKOPOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-8(12)6-11-4-3-7(10(14)15)5-9(11)13/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid?
2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-oxobutyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 18179614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).