Basic information
- CAS
491855-90-4- Standard SMILES
COc1ccccc1Nc1nc(Cl)cc(N)c1[N+](=O)[O-]- InChIKey
AYPGROWRIWBZLI-UHFFFAOYSA-N- Molecular formula
- C12H11ClN4O3
- Average molar mass
- 294.69 g/mol
- Monoisotopic mass
- 294.0519679
Names & identifiers
- Preferred name
- 6-Chloro-N2-(2-methoxyphenyl)-3-nitro-2,4-pyridinediamine
- IUPAC
- 6-chloro-2-N-(2-methoxyphenyl)-3-nitropyridine-2,4-diamine
Names & synonyms
Oprea1_416345AG-690/154443866-Chloro-N2-(2-methoxyphenyl)-3-nitro-2,4-pyridinediamineDTXSID501195786AKOS000562036491855-90-4SR-01000356868SR-01000356868-14-amino-6-chloro-3-nitro-2-(2-methoxyanilino)pyridine6-Chloro-N~2~-(2-methoxyphenyl)-3-nitropyridine-2,4-diamine
Database identifiers
- CAS
491855-90-4- PubChem CID
- 3133243
- DTXSID
DTXSID501195786
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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