Ethyl 3-amino-4,6-dimethyl-1H-pyrrolo[2,3-B]pyridine-2-carboxylate
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Basic information
- CAS
1053660-01-7- Standard SMILES
CCOC(=O)c1[nH]c2nc(C)cc(C)c2c1N- InChIKey
NJIMUKWIUWYZJO-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2
- Average molar mass
- 233.27 g/mol
- Monoisotopic mass
- 233.11642673
Names & identifiers
- Preferred name
- Ethyl 3-amino-4,6-dimethyl-1H-pyrrolo[2,3-B]pyridine-2-carboxylate
- IUPAC
- ethyl 3-amino-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
- English name
- Ethyl 3-amino-4,6-dimethyl-1H-pyrrolo[2,3-b]-pyridine-2-carboxylate
- Molecular formula
- C12H15N3O2
- Molecular weight
- 233.27
Names & synonyms
ETHYL 3-AMINO-4,6-DIMETHYL-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE1053660-01-7Ethyl 3-amino-4,6-dimethyl-1H-pyrrolo[2,3-b]-pyridine-2-carboxylateSBB098094AKOS015855580ethyl 3-amino-4,6-dimethylpyrrolo[2,3-b]pyridine-2-carboxylateETHYL3-AMINO-4,6-DIMETHYL-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-amino-4,6-dimethyl-, ethyl ester
Database identifiers
- CAS
1053660-01-7- PubChem CID
- 49758915
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
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Compound notes
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