2-oxo-1-propylpyridine-4-carboxylic acid

C9H11NO3 — CID 44600734

IUPAC2-oxo-1-propylpyridine-4-carboxylic acid
SMILESCCCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C9H11NO3/c1-2-4-10-5-3-7(9(12)13)6-8(10)11/h3,5-6H,2,4H2,1H3,(H,12,13)
InChIKeyYKFNBPZFXVGEEH-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.96
Rot. Bonds3

About 2-oxo-1-propylpyridine-4-carboxylic acid

2-oxo-1-propylpyridine-4-carboxylic acid (PubChem CID 44600734) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-oxo-1-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-propylpyridine-4-carboxylic acid
PubChem CID44600734
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-oxo-1-propylpyridine-4-carboxylic acid
SMILESCCCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C9H11NO3/c1-2-4-10-5-3-7(9(12)13)6-8(10)11/h3,5-6H,2,4H2,1H3,(H,12,13)
InChIKeyYKFNBPZFXVGEEH-UHFFFAOYSA-N
XLogP0.96
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-propylpyridine-4-carboxylic acid (CID 44600734) is 2-oxo-1-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-propylpyridine-4-carboxylic acid is CCCn1ccc(C(=O)O)cc1=O.
What is the InChIKey of 2-oxo-1-propylpyridine-4-carboxylic acid?
The InChIKey is YKFNBPZFXVGEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-4-10-5-3-7(9(12)13)6-8(10)11/h3,5-6H,2,4H2,1H3,(H,12,13).
What are the key properties of 2-oxo-1-propylpyridine-4-carboxylic acid?
2-oxo-1-propylpyridine-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 44600734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).