1,2-Dimethyl-1H-pyrrolo[2,3-c]pyridine
Basic information
- CAS
1611498-48-6- Standard SMILES
Cc1cc2ccncc2n1C- InChIKey
KRVGJKUHKZNIQL-UHFFFAOYSA-N- Molecular formula
- C9H10N2
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.08439833
Names & identifiers
- Preferred name
- 1,2-Dimethyl-1H-pyrrolo[2,3-c]pyridine
- IUPAC
- 1,2-dimethylpyrrolo[2,3-c]pyridine
- English name
- 1H-Pyrrolo[2,3-c]pyridine, 1,2-dimethyl-
- Molecular formula
- C9H10N2
- Molecular weight
- 146.19
Names & synonyms
1,2-Dimethyl-1H-pyrrolo[2,3-c]pyridineSCHEMBL10151406DTXSID5012841051611498-48-61H-Pyrrolo[2,3-c]pyridine, 1,2-dimethyl-
Database identifiers
- CAS
1611498-48-6- PubChem CID
- 21364057
- DTXSID
DTXSID501284105- Nikkaji
- J3.344.868F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 116 · 116-117.5 °C
- Boiling point
- 263.654 · 263.654±20.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.091 · 1.091±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.38 · 8.380±0.10(predicted)
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Compound notes
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