Basic information
- CAS
500870-63-3- Standard SMILES
O=[N+]([O-])c1cnccc1Nc1ccncc1- InChIKey
NHNUOMARUVRRCL-UHFFFAOYSA-N- Molecular formula
- C10H8N4O2
- Average molar mass
- 216.2 g/mol
- Monoisotopic mass
- 216.06472551
Names & identifiers
- Preferred name
- 3-Nitro-4-(4-pyridylamino)pyridine
- IUPAC
- 3-nitro-N-pyridin-4-ylpyridin-4-amine
- English name
- 3-nitro-4-(4-pyridylamino)pyridine
- Molecular formula
- C10H8N4O2
- Molecular weight
- 216.2
Names & synonyms
NSC-162913NSC162913LV5R53XW7KSCHEMBL166573723-nitro-4-(4-pyridylamino)pyridine3-Nitro-N-4-pyridinyl-4-pyridinamine4-Pyridinamine, 3-nitro-N-4-pyridinyl-500870-63-3
Database identifiers
- CAS
500870-63-3- PubChem CID
- 294459
- UNII
- LV5R53XW7K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 119 · 119-120 °C
- Boiling point
- 398.4 · 398.4±32.0 °C(predicted)
- Density
- 1.406 · 1.406±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- pka
- 5.34 · 5.34±0.26(predicted)
Chemistry & industry
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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