5-butyl-6-oxo-1H-pyridine-2-carboxylic acid

C10H13NO3 — CID 119091819

IUPAC5-butyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCCCCc1ccc(C(=O)O)[nH]c1=O
InChIInChI=1S/C10H13NO3/c1-2-3-4-7-5-6-8(10(13)14)11-9(7)12/h5-6H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyJHNWHFIBULHQMG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.42
Rot. Bonds4

About 5-butyl-6-oxo-1H-pyridine-2-carboxylic acid

5-butyl-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 119091819) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-butyl-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-butyl-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID119091819
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-butyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCCCCc1ccc(C(=O)O)[nH]c1=O
InChIInChI=1S/C10H13NO3/c1-2-3-4-7-5-6-8(10(13)14)11-9(7)12/h5-6H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyJHNWHFIBULHQMG-UHFFFAOYSA-N
XLogP1.42
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-butyl-6-oxo-1H-pyridine-2-carboxylic acid (CID 119091819) is 5-butyl-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-butyl-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-butyl-6-oxo-1H-pyridine-2-carboxylic acid is CCCCc1ccc(C(=O)O)[nH]c1=O.
What is the InChIKey of 5-butyl-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is JHNWHFIBULHQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-3-4-7-5-6-8(10(13)14)11-9(7)12/h5-6H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-butyl-6-oxo-1H-pyridine-2-carboxylic acid?
5-butyl-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 119091819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).