Basic information
- Standard SMILES
CCOC(=O)c1ccc(N)nc1N- InChIKey
OKIQORABWAQGMT-UHFFFAOYSA-N- Molecular formula
- C8H11N3O2
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.0851266
Names & identifiers
- Preferred name
- Ethyl 2,6-diaminonicotinate
- IUPAC
- ethyl 2,6-diaminopyridine-3-carboxylate
Names & synonyms
ethyl 2,6-diaminonicotinate154378-58-2SCHEMBL1680317OKIQORABWAQGMT-UHFFFAOYSA-N2,6-Diamino-nicotinic acid ethyl ester2.6-Diamino-nicotinic acid ethyl esterDB-091462DB-091463
Database identifiers
- PubChem CID
- 58784252
- Nikkaji
- J577.619H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Related reactions
10 records
Compound notes
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