1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid

C10H13NO3 — CID 84720420

IUPAC1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid
SMILESCCCc1ccc(=O)n(C)c1C(=O)O
InChIInChI=1S/C10H13NO3/c1-3-4-7-5-6-8(12)11(2)9(7)10(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyGUCPACHCQVDXGL-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.04
Rot. Bonds3

About 1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid

1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid (PubChem CID 84720420) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid
PubChem CID84720420
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid
SMILESCCCc1ccc(=O)n(C)c1C(=O)O
InChIInChI=1S/C10H13NO3/c1-3-4-7-5-6-8(12)11(2)9(7)10(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyGUCPACHCQVDXGL-UHFFFAOYSA-N
XLogP1.04
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid?
The IUPAC name of 1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid (CID 84720420) is 1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid?
The canonical SMILES for 1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid is CCCc1ccc(=O)n(C)c1C(=O)O.
What is the InChIKey of 1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid?
The InChIKey is GUCPACHCQVDXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-4-7-5-6-8(12)11(2)9(7)10(13)14/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid?
1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-3-propylpyridine-2-carboxylic acid is sourced from PubChem (CID 84720420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).