2-(3,4-Dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine
Basic information
- CAS
730953-74-9- Standard SMILES
COc1ccc(-c2cn3cc([N+](=O)[O-])ccc3n2)cc1OC- InChIKey
HYEWLNNRLGPCAR-UHFFFAOYSA-N- Molecular formula
- C15H13N3O4
- Average molar mass
- 299.28 g/mol
- Monoisotopic mass
- 299.0906059
Names & identifiers
- Preferred name
- 2-(3,4-Dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine
- IUPAC
- 2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine
Names & synonyms
2-(3,4-dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridineMLS000770483CHEMBL1550330DTXSID301319970HMS2700M17AKOS034467338730953-74-9SMR000343728AB00587735-02SR-01000047029SR-01000047029-1Z56944089
Database identifiers
- CAS
730953-74-9- PubChem CID
- 3300645
- DTXSID
DTXSID301319970- ChEMBL
CHEMBL1550330
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
Solubility16.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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