4-(Aziridin-1-yl)-8-nitrocinnoline
Basic information
- CAS
68211-09-6- Standard SMILES
O=[N+]([O-])c1cccc2c(N3CC3)cnnc12- InChIKey
OKSWAVTWOUSYOX-UHFFFAOYSA-N- Molecular formula
- C10H8N4O2
- Average molar mass
- 216.2 g/mol
- Monoisotopic mass
- 216.06472551
Names & identifiers
- Preferred name
- 4-(Aziridin-1-yl)-8-nitrocinnoline
- IUPAC
- 4-(aziridin-1-yl)-8-nitrocinnoline
Names & synonyms
4-(aziridin-1-yl)-8-nitrocinnoline68211-09-64-(1-Aziridinyl)-8-(hydroxy(oxido)amino)cinnolineNSC66152NSC-66152NSC 66152NVN6VN6LRBDTXSID402183894-(1-Aziridinyl)-8-nitrocinnoline4-(aziridin-1-yl)-8-nitro-cinnolineCinnoline, 4-(1-aziridinyl)-8-nitro-
Database identifiers
- CAS
68211-09-6- PubChem CID
- 248741
- DTXSID
DTXSID40218389- UNII
- NVN6VN6LRB
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
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Related reactions
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Compound notes
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