Basic information
- CAS
878066-07-0- Standard SMILES
Cc1ccc(OCc2ccccc2C)c([N+](=O)[O-])n1- InChIKey
GYQXAWPAENXUSQ-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- 6-Methyl-3-[(2-methylphenyl)methoxy]-2-nitropyridine
- IUPAC
- 6-methyl-3-[(2-methylphenyl)methoxy]-2-nitropyridine
Names & synonyms
MLS0011739536-methyl-3-[(2-methylphenyl)methoxy]-2-nitropyridineCHEMBL1344118DTXSID101328246HMS2902D04AKOS033924396SMR000589559Z24764313878066-07-0
Database identifiers
- CAS
878066-07-0- PubChem CID
- 9108965
- DTXSID
DTXSID101328246- ChEMBL
CHEMBL1344118
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Experimental & physicochemical properties
Solubility18.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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