3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane

C48H47BrF4N6 — CID 162206047

About 3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane

3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane (PubChem CID 162206047) has the molecular formula C48H47BrF4N6 and a molecular weight of 863.84 g/mol. Its IUPAC name is 3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane.

Molecular Properties

• Compound Name: 3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane
• PubChem CID: 162206047
• Molecular Formula: C48H47BrF4N6
• Molecular Weight: 863.84 g/mol
• Exact Mass: 862.30
• IUPAC Name: 3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane
• SMILES: C.C.FC1(F)C2CN(c3cccc(Br)n3)CC21.FC1(F)C2CN(c3cccc(N=C(c4ccccc4)c4ccccc4)n3)CC21.[H]N=C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H19F2N3.C13H11N.C10H9BrF2N2.2CH4/c24-23(25)18-14-28(15-19(18)23)21-13-7-12-20(26-21)27-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;11-8-2-1-3-9(14-8)15-4-6-7(5-15)10(6,12)13;;/h1-13,18-19H,14-15H2;1-10,14H;1-3,6-7H,4-5H2;2*1H4
• InChIKey: ZSEWAWFJBOXVCF-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 68.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.84
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane?

The IUPAC name of 3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane (CID 162206047) is 3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane.

What is the SMILES notation for 3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane?

The canonical SMILES for 3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane is C.C.FC1(F)C2CN(c3cccc(Br)n3)CC21.FC1(F)C2CN(c3cccc(N=C(c4ccccc4)c4ccccc4)n3)CC21.[H]N=C(c1ccccc1)c1ccccc1.

What is the InChIKey of 3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane?

The InChIKey is ZSEWAWFJBOXVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3.C13H11N.C10H9BrF2N2.2CH4/c24-23(25)18-14-28(15-19(18)23)21-13-7-12-20(26-21)27-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;11-8-2-1-3-9(14-8)15-4-6-7(5-15)10(6,12)13;;/h1-13,18-19H,14-15H2;1-10,14H;1-3,6-7H,4-5H2;2*1H4.

What are the key properties of 3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane?

3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane has a molecular weight of 863.84 g/mol, XLogP of 11.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane is sourced from PubChem (CID 162206047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).