6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine

C36H22Br3F4N9 — CID 158344156

About 6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine

6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine (PubChem CID 158344156) has the molecular formula C36H22Br3F4N9 and a molecular weight of 896.34 g/mol. Its IUPAC name is 6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine.

Molecular Properties

• Compound Name: 6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine
• PubChem CID: 158344156
• Molecular Formula: C36H22Br3F4N9
• Molecular Weight: 896.34 g/mol
• Exact Mass: 892.95
• IUPAC Name: 6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine
• SMILES: Brc1ccc2cn[nH]c2c1.Fc1cccc(-n2cc3ccc(Br)cc3n2)n1.Fc1cccc(-n2ncc3ccc(Br)cc32)n1.Fc1cccc(F)n1
• InChI: InChI=1S/2C12H7BrFN3.C7H5BrN2.C5H3F2N/c13-9-5-4-8-7-17(16-10(8)6-9)12-3-1-2-11(14)15-12;13-9-5-4-8-7-15-17(10(8)6-9)12-3-1-2-11(14)16-12;8-6-2-1-5-4-9-10-7(5)3-6;6-4-2-1-3-5(7)8-4/h2*1-7H;1-4H,(H,9,10);1-3H
• InChIKey: GRNIJMVCOMZLQW-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 102.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.34
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine?

The IUPAC name of 6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine (CID 158344156) is 6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine.

What is the SMILES notation for 6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine?

The canonical SMILES for 6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine is Brc1ccc2cn[nH]c2c1.Fc1cccc(-n2cc3ccc(Br)cc3n2)n1.Fc1cccc(-n2ncc3ccc(Br)cc32)n1.Fc1cccc(F)n1.

What is the InChIKey of 6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine?

The InChIKey is GRNIJMVCOMZLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H7BrFN3.C7H5BrN2.C5H3F2N/c13-9-5-4-8-7-17(16-10(8)6-9)12-3-1-2-11(14)15-12;13-9-5-4-8-7-15-17(10(8)6-9)12-3-1-2-11(14)16-12;8-6-2-1-5-4-9-10-7(5)3-6;6-4-2-1-3-5(7)8-4/h2*1-7H;1-4H,(H,9,10);1-3H.

What are the key properties of 6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine?

6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine has a molecular weight of 896.34 g/mol, XLogP of 10.33, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1-(6-fluoro-2-pyridinyl)indazole;6-bromo-2-(6-fluoro-2-pyridinyl)indazole;6-bromo-1H-indazole;2,6-difluoropyridine is sourced from PubChem (CID 158344156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).