7-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
Basic information
- CAS
1082041-02-8- Standard SMILES
Cc1cnc(C(=O)O)c2cc[nH]c12- InChIKey
HHSBOPLXPGEKCF-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 7-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
- IUPAC
- 7-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
- English name
- 1H-Pyrrolo[3,2-c]pyridine-4-carboxylic acid, 7-Methyl-
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
1082041-02-87-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid1H-Pyrrolo[3,2-c]pyridine-4-carboxylic acid, 7-Methyl-7-Methyl-5-azaindole-4-carboxylic acidDTXSID201218325AKOS023398089DB-1975187-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylicacid
Database identifiers
- CAS
1082041-02-8- PubChem CID
- 53399463
- DTXSID
DTXSID201218325
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 470.4 · 470.4±40.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- pka
- 1.79 · 1.79±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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