Ethyl 7-chloro-5-(ethoxycarbonylamino)imidazo[4,5-b]pyridine-3-carboxylate
Basic information
- CAS
68375-40-6- Standard SMILES
CCOC(=O)Nc1cc(Cl)c2ncn(C(=O)OCC)c2n1- InChIKey
GSJYBMUQNCGCOK-UHFFFAOYSA-N- Molecular formula
- C12H13ClN4O4
- Average molar mass
- 312.71 g/mol
- Monoisotopic mass
- 312.0625326
Names & identifiers
- Preferred name
- Ethyl 7-chloro-5-(ethoxycarbonylamino)imidazo[4,5-b]pyridine-3-carboxylate
- IUPAC
- ethyl 7-chloro-5-(ethoxycarbonylamino)imidazo[4,5-b]pyridine-3-carboxylate
Names & synonyms
68375-40-6NSC322329ethyl 7-chloro-5-(ethoxycarbonylamino)imidazo[4,5-b]pyridine-3-carboxylateDTXSID10317939NSC-322329Ethyl 7-chloro-5-[(ethoxycarbonyl)amino]-3H-imidazo[4,5-b]pyridine-3-carboxylate
Database identifiers
- CAS
68375-40-6- PubChem CID
- 331291
- DTXSID
DTXSID10317939
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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