Basic information
- CAS
245-72-7- Standard SMILES
c1cnc2c(c1)nc1ccccn12- InChIKey
LEBPEPIUJICUEJ-UHFFFAOYSA-N- Molecular formula
- C10H7N3
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.06399724
Names & identifiers
- Preferred name
- Dipyrido(1,2-a:3',2'-d)imidazole
- IUPAC
- 1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
- English name
- Dipyrido[1,2-a:3',2'-d]imidazole
- Molecular formula
- C10H7N3
- Molecular weight
- 169.18
Names & synonyms
DIPYRIDO(1,2-a:3',2'-d)IMIDAZOLE245-72-7BRN 0608855DTXSID30179258RefChem:339086DTXCID60101749SR08imidazo[1,2-a:5,4-b']dipyridineSCHEMBL8860107AKOS0007817511,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaeneDipyrido[1,2-a:3',2'-d]imidazole
Database identifiers
- CAS
245-72-7- PubChem CID
- 9206
- DTXSID
DTXSID30179258- Nikkaji
- J76.243A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 120 · 120-122 °C
- Boiling point
- 284.3 · 284.3±33.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 5.1 · 5.10±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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