Basic information
- Standard SMILES
O=[N+]([O-])c1cccc(Nc2nccc(-c3cccnc3)n2)c1- InChIKey
HFQHGGZJZTXYKH-UHFFFAOYSA-N- Molecular formula
- C15H11N5O2
- Average molar mass
- 293.28 g/mol
Names & identifiers
- Preferred name
- (3-Nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine
- IUPAC
- N-(3-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine
Names & synonyms
CHEMBL56081(3-Nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amineSCHEMBL1977HFQHGGZJZTXYKH-UHFFFAOYSA-NBDBM50290423N-(3-nitrophenyl)-4-(3-pyridyl)-2-pyrimidine-amine
Database identifiers
- PubChem CID
- 9860872
- ChEMBL
CHEMBL56081- Nikkaji
- J764.266K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Related reactions
6 records
Compound notes
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