2-acetyl-6-methylpyridine-3-carboxylic acid

C9H9NO3 — CID 18320650

IUPAC2-acetyl-6-methylpyridine-3-carboxylic acid
SMILESCC(=O)c1nc(C)ccc1C(=O)O
InChIInChI=1S/C9H9NO3/c1-5-3-4-7(9(12)13)8(10-5)6(2)11/h3-4H,1-2H3,(H,12,13)
InChIKeyKFQXASFLYDSLLL-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.29
Rot. Bonds2

About 2-acetyl-6-methylpyridine-3-carboxylic acid

2-acetyl-6-methylpyridine-3-carboxylic acid (PubChem CID 18320650) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-acetyl-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-6-methylpyridine-3-carboxylic acid
PubChem CID18320650
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-acetyl-6-methylpyridine-3-carboxylic acid
SMILESCC(=O)c1nc(C)ccc1C(=O)O
InChIInChI=1S/C9H9NO3/c1-5-3-4-7(9(12)13)8(10-5)6(2)11/h3-4H,1-2H3,(H,12,13)
InChIKeyKFQXASFLYDSLLL-UHFFFAOYSA-N
XLogP1.29
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-acetyl-6-methylpyridine-3-carboxylic acid (CID 18320650) is 2-acetyl-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-acetyl-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-acetyl-6-methylpyridine-3-carboxylic acid is CC(=O)c1nc(C)ccc1C(=O)O.
What is the InChIKey of 2-acetyl-6-methylpyridine-3-carboxylic acid?
The InChIKey is KFQXASFLYDSLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-5-3-4-7(9(12)13)8(10-5)6(2)11/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2-acetyl-6-methylpyridine-3-carboxylic acid?
2-acetyl-6-methylpyridine-3-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 18320650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).