3-Cinnolinecarboxamide, 4-amino-7-chloro-6-fluoro-
Basic information
- CAS
159831-72-8- Standard SMILES
NC(=O)c1nnc2cc(Cl)c(F)cc2c1N- InChIKey
ISONHGCOBHHRMJ-UHFFFAOYSA-N- Molecular formula
- C9H6ClFN4O
- Average molar mass
- 240.62 g/mol
- Monoisotopic mass
- 240.0214167
Names & identifiers
- Preferred name
- 3-Cinnolinecarboxamide, 4-amino-7-chloro-6-fluoro-
- IUPAC
- 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide
Names & synonyms
159831-72-83-Cinnolinecarboxamide, 4-amino-7-chloro-6-fluoro-4-Amino-7-chloro-6-fluoro-3-cinnolinecarboxamideDTXSID20166733RefChem:278660DTXCID00892244-amino-7-chloro-6-fluorocinnoline-3-carboxamideSCHEMBL5807279
Database identifiers
- CAS
159831-72-8- PubChem CID
- 3074577
- DTXSID
DTXSID20166733
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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