2-(3-methyl-4-oxo-1-pyridinyl)acetic acid

C8H9NO3 — CID 22766104

IUPAC2-(3-methyl-4-oxo-1-pyridinyl)acetic acid
SMILESCc1cn(CC(=O)O)ccc1=O
InChIInChI=1S/C8H9NO3/c1-6-4-9(5-8(11)12)3-2-7(6)10/h2-4H,5H2,1H3,(H,11,12)
InChIKeyAGPJJIGMVFNMPA-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.24
Rot. Bonds2

About 2-(3-methyl-4-oxo-1-pyridinyl)acetic acid

2-(3-methyl-4-oxo-1-pyridinyl)acetic acid (PubChem CID 22766104) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(3-methyl-4-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-4-oxo-1-pyridinyl)acetic acid
PubChem CID22766104
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-(3-methyl-4-oxo-1-pyridinyl)acetic acid
SMILESCc1cn(CC(=O)O)ccc1=O
InChIInChI=1S/C8H9NO3/c1-6-4-9(5-8(11)12)3-2-7(6)10/h2-4H,5H2,1H3,(H,11,12)
InChIKeyAGPJJIGMVFNMPA-UHFFFAOYSA-N
XLogP0.24
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-oxopyridin-1(4H)-yl)acetic acid
CID 817723
2-[4-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 22766113
2-Fluoro-2-(3-methyl-4-oxo-1-pyridinyl)acetic acid
CID 130576931
2-(3-Bromo-5-methyl-4-oxo-1-pyridinyl)acetic acid
CID 21320042
2-(3-Chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid
CID 21320050
2-(2,5-Dimethyl-4-oxo-1-pyridinyl)acetic acid
CID 22766102
2-(3,5-Dimethyl-4-oxo-1-pyridinyl)acetic acid
CID 90697135
2-(3-Iodo-5-methyl-4-oxo-1-pyridinyl)acetic acid
CID 163466279
2-(4-Oxo-1-pyridinyl)propanoic acid
CID 62880489
2-Methyl-2-(4-oxo-1-pyridinyl)propanoic acid
CID 82031078
1-(2-Hydroxyethyl)-3-methylpyridin-4-one
CID 100948053
3-(3-Methyl-4-oxo-1-pyridinyl)propanoic acid
CID 130576934

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-methyl-4-oxo-1-pyridinyl)acetic acid (CID 22766104) is 2-(3-methyl-4-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-methyl-4-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-methyl-4-oxo-1-pyridinyl)acetic acid is Cc1cn(CC(=O)O)ccc1=O.
What is the InChIKey of 2-(3-methyl-4-oxo-1-pyridinyl)acetic acid?
The InChIKey is AGPJJIGMVFNMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-6-4-9(5-8(11)12)3-2-7(6)10/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-(3-methyl-4-oxo-1-pyridinyl)acetic acid?
2-(3-methyl-4-oxo-1-pyridinyl)acetic acid has a molecular weight of 167.16 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 22766104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).