6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine

C33H42B2Br2F6N8O4 — CID 158783632

About 6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine

6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine (PubChem CID 158783632) has the molecular formula C33H42B2Br2F6N8O4 and a molecular weight of 910.17 g/mol. Its IUPAC name is 6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine
• PubChem CID: 158783632
• Molecular Formula: C33H42B2Br2F6N8O4
• Molecular Weight: 910.17 g/mol
• Exact Mass: 908.18
• IUPAC Name: 6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine
• SMILES: C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.FC(F)(F)c1ncc(Br)cn1.Nc1cccc(-c2cnc(C(F)(F)F)nc2)n1.Nc1cccc(Br)n1
• InChI: InChI=1S/C12H24B2O4.C10H7F3N4.C5H2BrF3N2.C5H5BrN2.CH4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-10(12,13)9-15-4-6(5-16-9)7-2-1-3-8(14)17-7;6-3-1-10-4(11-2-3)5(7,8)9;6-4-2-1-3-5(7)8-4;/h1-8H3;1-5H,(H2,14,17);1-2H;1-3H,(H2,7,8);1H4
• InChIKey: IRJYVJAYLIXJOB-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 166.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 2
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	910.17
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine?

The IUPAC name of 6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine (CID 158783632) is 6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine.

What is the SMILES notation for 6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine?

The canonical SMILES for 6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine is C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.FC(F)(F)c1ncc(Br)cn1.Nc1cccc(-c2cnc(C(F)(F)F)nc2)n1.Nc1cccc(Br)n1.

What is the InChIKey of 6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine?

The InChIKey is IRJYVJAYLIXJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B2O4.C10H7F3N4.C5H2BrF3N2.C5H5BrN2.CH4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-10(12,13)9-15-4-6(5-16-9)7-2-1-3-8(14)17-7;6-3-1-10-4(11-2-3)5(7,8)9;6-4-2-1-3-5(7)8-4;/h1-8H3;1-5H,(H2,14,17);1-2H;1-3H,(H2,7,8);1H4.

What are the key properties of 6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine?

6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine has a molecular weight of 910.17 g/mol, XLogP of 8.71, 2 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromopyridin-2-amine;5-bromo-2-(trifluoromethyl)pyrimidine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-amine is sourced from PubChem (CID 158783632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).