4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid

C10H11NO3 — CID 82402283

IUPAC4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid
SMILESCc1ncccc1C(=O)CCC(=O)O
InChIInChI=1S/C10H11NO3/c1-7-8(3-2-6-11-7)9(12)4-5-10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyUQSDEYHXOIFGTO-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.44
Rot. Bonds4

About 4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid

4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid (PubChem CID 82402283) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid
PubChem CID82402283
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid
SMILESCc1ncccc1C(=O)CCC(=O)O
InChIInChI=1S/C10H11NO3/c1-7-8(3-2-6-11-7)9(12)4-5-10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyUQSDEYHXOIFGTO-UHFFFAOYSA-N
XLogP1.44
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
1-(2-methyl-3-pyridinyl)but-3-yn-1-one
CID 105076440
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride
CID 134129731
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
4-(2-acetylphenyl)-4-oxobutanoic acid
CID 67451977
2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105089353
2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105083488
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
CID 20585684

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid?
The IUPAC name of 4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid (CID 82402283) is 4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid is Cc1ncccc1C(=O)CCC(=O)O.
What is the InChIKey of 4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid?
The InChIKey is UQSDEYHXOIFGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7-8(3-2-6-11-7)9(12)4-5-10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid?
4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid is sourced from PubChem (CID 82402283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).