Completing data — usually done within a minute
Basic information
- CAS
159890-55-8- Standard SMILES
NC(=O)c1cnc(N)c([N+](=O)[O-])c1- InChIKey
ULRAQWKBQNFNNX-UHFFFAOYSA-N- Molecular formula
- C6H6N4O3
- Average molar mass
- 182.14 g/mol
- Monoisotopic mass
- 182.04399005
Names & identifiers
- Preferred name
- 6-Amino-5-nitro-nicotinamide
- IUPAC
- 6-amino-5-nitropyridine-3-carboxamide
Names & synonyms
6-Amino-5-nitronicotinamide159890-55-86-amino-5-nitro-nicotinamide6-amino-5-nitropyridine-3-carboxamideNSC523080Linaprazan Impurity 14SCHEMBL4170811SCHEMBL31423765DTXSID30326043ULRAQWKBQNFNNX-UHFFFAOYSA-NMFCD28364075NSC-523080
Show more names
SY458903DB-219722
Database identifiers
- CAS
159890-55-8- PubChem CID
- 351757
- DTXSID
DTXSID30326043
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Related reactions
11 records
Compound notes
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