6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine

C30H30BBrF4N8O2 — CID 159779025

About 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine

6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine (PubChem CID 159779025) has the molecular formula C30H30BBrF4N8O2 and a molecular weight of 701.33 g/mol. Its IUPAC name is 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine
• PubChem CID: 159779025
• Molecular Formula: C30H30BBrF4N8O2
• Molecular Weight: 701.33 g/mol
• Exact Mass: 700.17
• IUPAC Name: 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine
• SMILES: Nc1cccc(-c2ccc(N3CC4C(C3)C4(F)F)nc2)n1.Nc1cccc(Br)n1.OB(O)c1ccc(N2CC3C(C2)C3(F)F)nc1
• InChI: InChI=1S/C15H14F2N4.C10H11BF2N2O2.C5H5BrN2/c16-15(17)10-7-21(8-11(10)15)14-5-4-9(6-19-14)12-2-1-3-13(18)20-12;12-10(13)7-4-15(5-8(7)10)9-2-1-6(3-14-9)11(16)17;6-4-2-1-3-5(7)8-4/h1-6,10-11H,7-8H2,(H2,18,20);1-3,7-8,16-17H,4-5H2;1-3H,(H2,7,8)
• InChIKey: NHCSNACTICRGHZ-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 150.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	701.33
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine?

The IUPAC name of 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine (CID 159779025) is 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine.

What is the SMILES notation for 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine?

The canonical SMILES for 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine is Nc1cccc(-c2ccc(N3CC4C(C3)C4(F)F)nc2)n1.Nc1cccc(Br)n1.OB(O)c1ccc(N2CC3C(C2)C3(F)F)nc1.

What is the InChIKey of 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine?

The InChIKey is NHCSNACTICRGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4.C10H11BF2N2O2.C5H5BrN2/c16-15(17)10-7-21(8-11(10)15)14-5-4-9(6-19-14)12-2-1-3-13(18)20-12;12-10(13)7-4-15(5-8(7)10)9-2-1-6(3-14-9)11(16)17;6-4-2-1-3-5(7)8-4/h1-6,10-11H,7-8H2,(H2,18,20);1-3,7-8,16-17H,4-5H2;1-3H,(H2,7,8).

What are the key properties of 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine?

6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine has a molecular weight of 701.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 159779025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).