2-(2,1,3-Benzothiadiazol-4-ylamino)nicotinaldehyde
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Basic information
- Standard SMILES
O=Cc1cccnc1Nc1cccc2nsnc12- InChIKey
OPVRVVKXEVZXKU-UHFFFAOYSA-N- Molecular formula
- C12H8N4OS
- Average molar mass
- 256.29 g/mol
Names & identifiers
- Preferred name
- 2-(2,1,3-Benzothiadiazol-4-ylamino)nicotinaldehyde
- IUPAC
- 2-(2,1,3-benzothiadiazol-4-ylamino)pyridine-3-carbaldehyde
Names & synonyms
SCHEMBL5962588OPVRVVKXEVZXKU-UHFFFAOYSA-N2-(2,1,3-benzothiadiazol-4-ylamino)nicotinaldehyde
Database identifiers
- PubChem CID
- 21936637
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Related reactions
1 records
Compound notes
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