5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C26H28BBr2F9N6O2 — CID 158445377

About 5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 158445377) has the molecular formula C26H28BBr2F9N6O2 and a molecular weight of 798.15 g/mol. Its IUPAC name is 5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 158445377
• Molecular Formula: C26H28BBr2F9N6O2
• Molecular Weight: 798.15 g/mol
• Exact Mass: 796.06
• IUPAC Name: 5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• SMILES: CNc1cc(C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)cn1.CNc1cc(C(F)(F)F)c(Br)cn1.Nc1cc(C(F)(F)F)c(Br)cn1
• InChI: InChI=1S/C13H18BF3N2O2.C7H6BrF3N2.C6H4BrF3N2/c1-11(2)12(3,4)21-14(20-11)9-7-19-10(18-5)6-8(9)13(15,16)17;1-12-6-2-4(7(9,10)11)5(8)3-13-6;7-4-2-12-5(11)1-3(4)6(8,9)10/h6-7H,1-5H3,(H,18,19);2-3H,1H3,(H,12,13);1-2H,(H2,11,12)
• InChIKey: HDICHFVJEAOXME-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 107.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.15
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 158445377) is 5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)cn1.CNc1cc(C(F)(F)F)c(Br)cn1.Nc1cc(C(F)(F)F)c(Br)cn1.

What is the InChIKey of 5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is HDICHFVJEAOXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BF3N2O2.C7H6BrF3N2.C6H4BrF3N2/c1-11(2)12(3,4)21-14(20-11)9-7-19-10(18-5)6-8(9)13(15,16)17;1-12-6-2-4(7(9,10)11)5(8)3-13-6;7-4-2-12-5(11)1-3(4)6(8,9)10/h6-7H,1-5H3,(H,18,19);2-3H,1H3,(H,12,13);1-2H,(H2,11,12).

What are the key properties of 5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 798.15 g/mol, XLogP of 7.79, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine;5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 158445377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).