Basic information
- CAS
75007-82-8- Standard SMILES
O=[N+]([O-])c1cccc(-c2nc3c(Cl)nccc3[nH]2)c1- InChIKey
RXRRETAUSQGCQM-UHFFFAOYSA-N- Molecular formula
- C12H7ClN4O2
- Average molar mass
- 274.66 g/mol
- Monoisotopic mass
- 274.0257532
Names & identifiers
- Preferred name
- 1H-Imidazo(4,5-c)pyridine, 4-chloro-2-(3-nitrophenyl)-
- IUPAC
- 4-chloro-2-(3-nitrophenyl)-1H-imidazo[4,5-c]pyridine
- English name
- 4-Chloro-2-(3-nitrophenyl)-imidazo(4,5-c)pyridine
- Molecular formula
- C12H7ClN4O2
- Molecular weight
- 274.66
Names & synonyms
75007-82-84-Chloro-2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine1H-Imidazo(4,5-c)pyridine, 4-chloro-2-(3-nitrophenyl)-4-Chloro-2-(3-nitrophenyl)-1H-imidazo(4,5-c)pyridine4-chloro-2-(3-nitrophenyl)-1H-imidazo[4,5-c]pyridineDTXSID402259724-Chloro-2-(3-nitrophenyl)-imidazo(4,5-c)pyridine3H-Imidazo[4,5-c]pyridine, 4-chloro-2-(3-nitrophenyl)-
Database identifiers
- CAS
75007-82-8- PubChem CID
- 5488366
- DTXSID
DTXSID40225972
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 300 °C · >300 °C(Solv: ethanol (64-17-5))
- Boiling point
- 536.8 · 536.8±60.0 °C(Predicted)
- Density
- 1.548 · 1.548±0.06 g/cm3(Predicted)
- pka
- 6.69 · 6.69±0.40(Predicted)
Chemistry & industry
Suppliers1 total
AQS-USA.INC.—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…