N-(4-chlorophenyl)-3-nitropyridin-4-amine
Basic information
- CAS
56809-50-8- Standard SMILES
O=[N+]([O-])c1cnccc1Nc1ccc(Cl)cc1- InChIKey
KAMDRDMOIHSXAL-UHFFFAOYSA-N- Molecular formula
- C11H8ClN3O2
- Average molar mass
- 249.65 g/mol
- Monoisotopic mass
- 249.0305042
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-3-nitropyridin-4-amine
- IUPAC
- N-(4-chlorophenyl)-3-nitropyridin-4-amine
Names & synonyms
56809-50-8N-(4-chlorophenyl)-3-nitropyridin-4-amine4-(4-chloroanilino)-3-nitropyridineOprea1_070771MLS001049312CHEMBL1328755SCHEMBL16657389DTXSID701328232HMS2794A20STL325484AKOS022141683DA-42070
Show more names
SMR000427316(4-Chloro-phenyl)-(3-nitro-pyridin-4-yl)-amineAJ-333/36120034
Database identifiers
- CAS
56809-50-8- PubChem CID
- 4359773
- DTXSID
DTXSID701328232- ChEMBL
CHEMBL1328755
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
Solubility16.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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