Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1ccc2cc(Cl)ncc21- InChIKey
NKQMUDWLDRKASO-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2
- Average molar mass
- 252.69 g/mol
Names & identifiers
- Preferred name
- tert-butyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate
- IUPAC
- tert-butyl 5-chloropyrrolo[2,3-c]pyridine-1-carboxylate
Names & synonyms
tert-butyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate1184844-58-3MFCD16660003tert-butyl 5-chloropyrrolo[2,3-c]pyridine-1-carboxylate1,1-Dimethylethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate5-Chloro-pyrrolo[2,3-c]pyridine-1-carboxylic acid tert-butyl esterSCHEMBL1396849YQF3145NKQMUDWLDRKASO-UHFFFAOYSA-N1-Boc-5-chloro-pyrrolo[2,3-c]pyridineAS-93037SY498466
Show more names
DB-3617131-Boc-5-chloro-1H-pyrrolo[2,3-c]pyridineF76364F867222tert-butyl5-chloro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate1,1-Dimethylethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate - [D94085]1H-Pyrrolo[2,3-c]pyridine-1-carboxylic acid, 5-chloro-, 1,1-dimethylethyl ester
Database identifiers
- PubChem CID
- 59636374
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Related reactions
1 records
Compound notes
Loading…