2,6-Dimethyl-4-(4-nitrophenyl)pyridine
Basic information
- CAS
82671-55-4- Standard SMILES
Cc1cc(-c2ccc([N+](=O)[O-])cc2)cc(C)n1- InChIKey
VHKXFEZYOOKFKG-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4-(4-nitrophenyl)pyridine
- IUPAC
- 2,6-dimethyl-4-(4-nitrophenyl)pyridine
Names & synonyms
82671-55-4MLS0026946942,6-dimethyl-4-(4-nitrophenyl)pyridineNSC86600NCIOpen2_004998CHEMBL1904338SCHEMBL23978209DTXSID40292967HMS3094C13NSC-86600SMR0015606182,6-di-methyl-4-(4-nitrophenyl)pyridine
Database identifiers
- CAS
82671-55-4- PubChem CID
- 257968
- DTXSID
DTXSID40292967- ChEMBL
CHEMBL1904338
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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