1-Acetyl-3-oxo-2,3-dihydro-1h-pyrrolo[2,3-b]pyridine-2-carboxylic acid

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Basic information

CAS: 5236-78-2
Standard SMILES: CC(=O)N1c2ncccc2C(=O)C1C(=O)O
InChIKey: CBQXRGKJEPHYBR-UHFFFAOYSA-N
Molecular formula: C10H8N2O4
Average molar mass: 220.18 g/mol
Monoisotopic mass: 220.04840674

Names & identifiers

Preferred name: 1-Acetyl-3-oxo-2,3-dihydro-1h-pyrrolo[2,3-b]pyridine-2-carboxylic acid
IUPAC: 1-acetyl-3-oxo-2H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

Names & synonyms

5236-78-21-acetyl-3-oxo-2,3-dihydro-1h-pyrrolo[2,3-b]pyridine-2-carboxylic acid1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-acetyl-2,3-dihydro-3-oxo-NSC132569SCHEMBL3259347DTXSID502997651H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid,1-acetyl-2,3-dihydro-3-oxo-NSC-132569

Database identifiers

CAS: 5236-78-2
PubChem CID: 280664
DTXSID: DTXSID50299765

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 87.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 355

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Compound notes

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