Basic information
- CAS
842-73-9- Standard SMILES
Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn2c1- InChIKey
PCHSIVKWNPZZPW-UHFFFAOYSA-N- Molecular formula
- C14H11N3O2
- Average molar mass
- 253.26 g/mol
- Monoisotopic mass
- 253.08512659
Names & identifiers
- Preferred name
- 6-Methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
- IUPAC
- 6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
Names & synonyms
842-73-96-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridineImidazo[1,2-a]pyridine, 6-methyl-2-(4-nitrophenyl)-CBMicro_005031Cambridge id 5120504Oprea1_350168Oprea1_773820SCHEMBL1984138CHEMBL3288551DTXSID60353721PCHSIVKWNPZZPW-UHFFFAOYSA-NSMSF0003531
Show more names
AKOS001611977CB07040BIM-0005008.P001SR-01000409787SR-01000409787-1
Database identifiers
- CAS
842-73-9- PubChem CID
- 749917
- DTXSID
DTXSID60353721- ChEMBL
CHEMBL3288551
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
3 records
Compound notes
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