2-(pyridine-4-carbonyl)butanoic acid

C10H11NO3 — CID 53419303

IUPAC2-(pyridine-4-carbonyl)butanoic acid
SMILESCCC(C(=O)O)C(=O)c1ccncc1
InChIInChI=1S/C10H11NO3/c1-2-8(10(13)14)9(12)7-3-5-11-6-4-7/h3-6,8H,2H2,1H3,(H,13,14)
InChIKeyOUGFQYGQBVUESI-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.38
Rot. Bonds4

About 2-(pyridine-4-carbonyl)butanoic acid

2-(pyridine-4-carbonyl)butanoic acid (PubChem CID 53419303) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(pyridine-4-carbonyl)butanoic acid.

Molecular Properties

Compound Name2-(pyridine-4-carbonyl)butanoic acid
PubChem CID53419303
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(pyridine-4-carbonyl)butanoic acid
SMILESCCC(C(=O)O)C(=O)c1ccncc1
InChIInChI=1S/C10H11NO3/c1-2-8(10(13)14)9(12)7-3-5-11-6-4-7/h3-6,8H,2H2,1H3,(H,13,14)
InChIKeyOUGFQYGQBVUESI-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
2-(pyridine-4-carbonyl)butanenitrile
CID 43670500
2-(4-cyanobenzoyl)butanoic acid
CID 67830865
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate
CID 10330780
(2S)-2-bromo-1-pyridin-4-ylpropan-1-one
CID 86316487
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(pyridine-4-carbonyl)pentanedioic acid
CID 91319275
aluminum tris(2-benzoylbutanoate)
CID 157191981
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
sodium 2-benzoylbutanoate
CID 67926417
4-amino-2-methyl-1-pyridin-4-ylbutan-1-one
CID 116916055
butane;1-pyridin-4-ylethanone
CID 174655632

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonyl)butanoic acid?
The IUPAC name of 2-(pyridine-4-carbonyl)butanoic acid (CID 53419303) is 2-(pyridine-4-carbonyl)butanoic acid.
What is the SMILES notation for 2-(pyridine-4-carbonyl)butanoic acid?
The canonical SMILES for 2-(pyridine-4-carbonyl)butanoic acid is CCC(C(=O)O)C(=O)c1ccncc1.
What is the InChIKey of 2-(pyridine-4-carbonyl)butanoic acid?
The InChIKey is OUGFQYGQBVUESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-8(10(13)14)9(12)7-3-5-11-6-4-7/h3-6,8H,2H2,1H3,(H,13,14).
What are the key properties of 2-(pyridine-4-carbonyl)butanoic acid?
2-(pyridine-4-carbonyl)butanoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonyl)butanoic acid is sourced from PubChem (CID 53419303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).