2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid

C9H11NO3 — CID 46785850

IUPAC2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid
SMILESCc1cc(C)n(CC(=O)O)c(=O)c1
InChIInChI=1S/C9H11NO3/c1-6-3-7(2)10(5-9(12)13)8(11)4-6/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyYJGUPNALLLXBEX-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.55
Rot. Bonds2

About 2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid

2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid (PubChem CID 46785850) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid
PubChem CID46785850
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid
SMILESCc1cc(C)n(CC(=O)O)c(=O)c1
InChIInChI=1S/C9H11NO3/c1-6-3-7(2)10(5-9(12)13)8(11)4-6/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyYJGUPNALLLXBEX-UHFFFAOYSA-N
XLogP0.55
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid (CID 46785850) is 2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid is Cc1cc(C)n(CC(=O)O)c(=O)c1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid?
The InChIKey is YJGUPNALLLXBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-7(2)10(5-9(12)13)8(11)4-6/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid?
2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 46785850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).