1-cyclobutyl-2-oxopyridine-3-carboxylic acid

C10H11NO3 — CID 86277097

IUPAC1-cyclobutyl-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(C2CCC2)c1=O
InChIInChI=1S/C10H11NO3/c12-9-8(10(13)14)5-2-6-11(9)7-3-1-4-7/h2,5-7H,1,3-4H2,(H,13,14)
InChIKeyQXCQOGBBDXKUQT-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.27
Rot. Bonds2

About 1-cyclobutyl-2-oxopyridine-3-carboxylic acid

1-cyclobutyl-2-oxopyridine-3-carboxylic acid (PubChem CID 86277097) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-cyclobutyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutyl-2-oxopyridine-3-carboxylic acid
PubChem CID86277097
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-cyclobutyl-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(C2CCC2)c1=O
InChIInChI=1S/C10H11NO3/c12-9-8(10(13)14)5-2-6-11(9)7-3-1-4-7/h2,5-7H,1,3-4H2,(H,13,14)
InChIKeyQXCQOGBBDXKUQT-UHFFFAOYSA-N
XLogP1.27
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-cyclobutyl-2-oxopyridine-3-carboxylic acid (CID 86277097) is 1-cyclobutyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclobutyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclobutyl-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(C2CCC2)c1=O.
What is the InChIKey of 1-cyclobutyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is QXCQOGBBDXKUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9-8(10(13)14)5-2-6-11(9)7-3-1-4-7/h2,5-7H,1,3-4H2,(H,13,14).
What are the key properties of 1-cyclobutyl-2-oxopyridine-3-carboxylic acid?
1-cyclobutyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 86277097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).