2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid

C9H11NO3 — CID 22766102

IUPAC2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid
SMILESCc1cn(CC(=O)O)c(C)cc1=O
InChIInChI=1S/C9H11NO3/c1-6-4-10(5-9(12)13)7(2)3-8(6)11/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyHMPYUFSHWYBPJI-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.55
Rot. Bonds2

About 2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid

2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid (PubChem CID 22766102) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid
PubChem CID22766102
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid
SMILESCc1cn(CC(=O)O)c(C)cc1=O
InChIInChI=1S/C9H11NO3/c1-6-4-10(5-9(12)13)7(2)3-8(6)11/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyHMPYUFSHWYBPJI-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid (CID 22766102) is 2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid is Cc1cn(CC(=O)O)c(C)cc1=O.
What is the InChIKey of 2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid?
The InChIKey is HMPYUFSHWYBPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-4-10(5-9(12)13)7(2)3-8(6)11/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid?
2-(2,5-dimethyl-4-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-(2,5-dimethyl-4-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 22766102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).