2-Phenylimidazo(4,5-b)pyridine
Basic information
- CAS
1016-93-9- Standard SMILES
c1ccc(-c2nc3ncccc3[nH]2)cc1- InChIKey
DYKJXWALYRGLPF-UHFFFAOYSA-N- Molecular formula
- C12H9N3
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.0796473
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Phenylimidazo(4,5-b)pyridine
- IUPAC
- 2-phenyl-1H-imidazo[4,5-b]pyridine
- English name
- 1H-Imidazo[4,5-b]pyridine, 2-phenyl-
- Molecular formula
- C12H9N3
- Molecular weight
- 195.22
Names & synonyms
2-Phenylimidazo(4,5-b)pyridine2-phenylimidazo[4,5-b]pyridineRefChem:9102191016-93-92-Phenyl-3H-imidazo[4,5-b]pyridine2-Phenyl-1H-imidazo[4,5-b]pyridine3H-Imidazo[4,5-b]pyridine, 2-phenyl-1H-Imidazo[4,5-b]pyridine, 2-phenyl-C12H9N3phenylimidazopyridine0441AAOprea1_866371
Show more names
CHEMBL166077SCHEMBL1284270SCHEMBL2668125DTXSID30345779DYKJXWALYRGLPF-UHFFFAOYSA-NAKOS001717477AKOS011054340NCGC00376808-01
Database identifiers
- CAS
1016-93-9- PubChem CID
- 606983
- DTXSID
DTXSID30345779- ChEMBL
CHEMBL166077- Nikkaji
- J346.461J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 291 · 291-293℃
- Boiling point
- 356.6 · 356.6±25.0 °C(Predicted)
- Density
- 1.26 · 1.26
- storage temp.
- 2 · 2-8°C
- pka
- 7.48 · 7.48±0.20(Predicted)
- Comptox DTXSID
- 30345779 · DTXSID30345779
- HS Code
- 2933990099 · 2933990099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933990099
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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