5-Nitrocinnoline

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Basic information

CAS: 2942-36-1
Standard SMILES: O=[N+]([O-])c1cccc2nnccc12
InChIKey: CPVUBWULXBRCAQ-UHFFFAOYSA-N
Molecular formula: C8H5N3O2
Average molar mass: 175.14 g/mol
Monoisotopic mass: 175.03817641

Names & identifiers

Preferred name: 5-Nitrocinnoline
IUPAC: 5-nitrocinnoline

Names & synonyms

5-nitrocinnoline2942-36-1DTXSID00327724RefChem:304446DTXCID70278835NSC680493CHEMBL1974633SCHEMBL112172875-(Hydroxy(oxido)amino)cinnolineAKOS016002432NSC-680493NCI60_028702

Show more names

AC-907/34126039

Database identifiers

CAS: 2942-36-1
PubChem CID: 387102
DTXSID: DTXSID00327724
ChEMBL: CHEMBL1974633

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 204

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Compound notes

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