5-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Basic information
- CAS
1190321-95-9- Standard SMILES
O=C(O)c1c[nH]c2ccc(=O)[nH]c12- InChIKey
RIQFJFKTNZIUGF-UHFFFAOYSA-N- Molecular formula
- C8H6N2O3
- Average molar mass
- 178.14 g/mol
- Monoisotopic mass
- 178.03784206
Names & identifiers
- Preferred name
- 5-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
- IUPAC
- 5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid
- English name
- 5-Hydroxy-4-azaindole-3-carboxylic acid
- Molecular formula
- C8H6N2O3
- Molecular weight
- 178.14
Names & synonyms
1190321-95-95-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid5-HYDROXY-4-AZAINDOLE-3-CARBOXYLIC ACID5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid4,5-Dihydro-5-oxo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid5-Oxo-4,5-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acidSCHEMBL6726470SCHEMBL28444375DTXSID301180696H849155-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carboxylicacid5-oxo-1H,4H,5H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Show more names
1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 4,5-dihydro-5-oxo-
Database identifiers
- CAS
1190321-95-9- PubChem CID
- 18754124
- DTXSID
DTXSID301180696
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 581.7 · 581.7±50.0 °C(Predicted)
- Density
- 1.577 · 1.577±0.06 g/cm3(Predicted)
- pka
- 5.22 · 5.22±0.20(Predicted)
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Compound notes
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