6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

C12H6Cl3N5O — CID 59624781

About 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624781) has the molecular formula C12H6Cl3N5O and a molecular weight of 342.57 g/mol. Its IUPAC name is 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 59624781
• Molecular Formula: C12H6Cl3N5O
• Molecular Weight: 342.57 g/mol
• Exact Mass: 340.96
• IUPAC Name: 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: O=C(Nc1ccnc(Cl)c1)c1cnc2c(Cl)cc(Cl)nn12
• InChI: InChI=1S/C12H6Cl3N5O/c13-7-4-10(15)19-20-8(5-17-11(7)20)12(21)18-6-1-2-16-9(14)3-6/h1-5H,(H,16,18,21)
• InChIKey: DSDBTJLBWBNNNK-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.57
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624781) is 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1ccnc(Cl)c1)c1cnc2c(Cl)cc(Cl)nn12.

What is the InChIKey of 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is DSDBTJLBWBNNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N5O/c13-7-4-10(15)19-20-8(5-17-11(7)20)12(21)18-6-1-2-16-9(14)3-6/h1-5H,(H,16,18,21).

What are the key properties of 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 342.57 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).