Basic information
- Standard SMILES
COC(=O)c1c(Br)ccn1N- InChIKey
OAKYVORQSFSWAX-UHFFFAOYSA-N- Molecular formula
- C6H7BrN2O2
- Average molar mass
- 219.04 g/mol
Names & identifiers
- Preferred name
- methyl 1-amino-3-bromo-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 1-amino-3-bromopyrrole-2-carboxylate
Names & synonyms
methyl 1-amino-3-bromo-1H-pyrrole-2-carboxylate1403942-81-3MFCD27987264methyl1-amino-3-bromo-1H-pyrrole-2-carboxylateSCHEMBL13731286YQF2750PB40544PS-16668SY468776DS-021383CS-0529276methyl 1-amino-3-bromo-pyrrole-2-carboxylate
Show more names
D96668F781790methyl 1?amino?3?bromo?1H?pyrrole?2?carboxylate
Database identifiers
- PubChem CID
- 70979762
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Related reactions
5 records
Compound notes
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