N-(4-Chlorophenyl)-5-nitro-2-pyridineamine
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Basic information
- CAS
26820-59-7- Standard SMILES
O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2)nc1- InChIKey
RZCLOVSIWHOQFI-UHFFFAOYSA-N- Molecular formula
- C11H8ClN3O2
- Average molar mass
- 249.65 g/mol
- Monoisotopic mass
- 249.0305042
Names & identifiers
- Preferred name
- N-(4-Chlorophenyl)-5-nitro-2-pyridineamine
- IUPAC
- N-(4-chlorophenyl)-5-nitropyridin-2-amine
- English name
- (4-chloro-phenyl)-(5-nitro-pyridin-2-yl)-amine
- Molecular formula
- C11H8ClN3O2
- Molecular weight
- 249.65
Names & synonyms
26820-59-7n-(4-chlorophenyl)-5-nitro-2-pyridineamineRefChem:361899N-(4-chlorophenyl)-5-nitropyridin-2-amineOprea1_462905MLS000717203SCHEMBL5800553CHEMBL1726331REGID_for_CID_2842437DTXSID201268344HMS2636P12HMS3361J18
Show more names
2-Pyridinamine, N-(4-chlorophenyl)-5-nitro-(4-chloro-phenyl)-(5-nitro-pyridin-2-yl)-amine
2-(4-chloroanilino)-5-nitropyridineAKOS000286389SMR000278570DB-198894N-(4-chlorophenyl)-5-nitro-2-pyridinamineST50001005AI-204/31709005
Database identifiers
- CAS
26820-59-7- PubChem CID
- 2842437
- DTXSID
DTXSID201268344- ChEMBL
CHEMBL1726331- Nikkaji
- J3.330.608C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- 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
Physicochemical properties
- Melting point
- 165 °C · 165 °C(Solv: methanol (67-56-1))
- Boiling point
- 401.4 · 401.4±40.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- pka
- 1.82 · 1.82±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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