Basic information
- CAS
89159-32-0- Standard SMILES
Cc1[nH]c(=O)c2c(c1[N+](=O)[O-])CNC2=O- InChIKey
CLRITWLHQNIIRF-UHFFFAOYSA-N- Molecular formula
- C8H7N3O4
- Average molar mass
- 209.16 g/mol
- Monoisotopic mass
- 209.04365571
Names & identifiers
- Preferred name
- 6-Methyl-7-nitro-1H-pyrrolo[3,4-c]pyridine-3,4(2H,5H)-dione
- IUPAC
- 6-methyl-7-nitro-2,5-dihydro-1H-pyrrolo[3,4-c]pyridine-3,4-dione
Names & synonyms
89159-32-06-Methyl-7-nitro-1,2-dihydro-3H-pyrrolo[3,4-c]pyridine-3,4(5H)-dioneCLRITWLHQNIIRF-UHFFFAOYSA-DTXSID905233541h-pyrrolo[3,4-c]pyridine-3,4(2h,5h)-dione,6-methyl-7-nitro-6-Methyl-7-nitro-1H-pyrrolo[3,4-c]pyridine-3,4(2H,5H)-dioneInChI=1/C8H7N3O4/c1-3-6(11(14)15)4-2-9-7(12)5(4)8(13)10-3/h2H2,1H3,(H,9,12)(H,10,13)
Database identifiers
- CAS
89159-32-0- PubChem CID
- 13159727
- DTXSID
DTXSID90523354
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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