Basic information
- CAS
1177416-22-6- Standard SMILES
O=C(Nc1ccnc(Cl)c1)c1cnc2c(Br)cc(Cl)nn12- InChIKey
KZTNVDJWXYFIJB-UHFFFAOYSA-N- Molecular formula
- C12H6BrCl2N5O
- Average molar mass
- 387.02 g/mol
- Monoisotopic mass
- 384.91328
Names & identifiers
- Preferred name
- 8-Bromo-6-chloro-N-(2-chloropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
- IUPAC
- 8-bromo-6-chloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
- English name
- 8-Bromo-6-chloro-N-(2-chloropyridin-4-yl)-imidazo[1,2-b]pyridazine-3-carboxamide
- Molecular formula
- C12H6BrCl2N5O
- Molecular weight
- 387.02
Names & synonyms
1177416-22-68-Bromo-6-chloro-N-(2-chloropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide8-Bromo-6-chloro-N-(2-chloropyridin-4-yl)-imidazo[1,2-b]pyridazine-3-carboxamideC12H6BrCl2N5O2899AASCHEMBL3728530DTXSID80732519KZTNVDJWXYFIJB-UHFFFAOYSA-NDB-342085Imidazo[1,2-b]pyridazine-3-carboxamide, 8-bromo-6-chloro-N-(2-chloro-4-pyridinyl)-
Database identifiers
- CAS
1177416-22-6- PubChem CID
- 59624531
- DTXSID
DTXSID80732519
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Density
- 1.95 · 1.95±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.72 · 6.72±0.46(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
4 records
Compound notes
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