5-Nitro-6-[(propan-2-yl)amino]pyridine-3-carbonitrile
Basic information
- CAS
954228-58-1- Standard SMILES
CC(C)Nc1ncc(C#N)cc1[N+](=O)[O-]- InChIKey
PKBIFUNEDOKKEN-UHFFFAOYSA-N- Molecular formula
- C9H10N4O2
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.08037557
Names & identifiers
- Preferred name
- 5-Nitro-6-[(propan-2-yl)amino]pyridine-3-carbonitrile
- IUPAC
- 5-nitro-6-(propan-2-ylamino)pyridine-3-carbonitrile
Names & synonyms
DTXSID901205933954228-58-15-Nitro-6-[(propan-2-yl)amino]pyridine-3-carbonitrile6-[(1-Methylethyl)amino]-5-nitro-3-pyridinecarbonitrile
Database identifiers
- CAS
954228-58-1- PubChem CID
- 24903136
- DTXSID
DTXSID901205933
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
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Compound notes
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