3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C92H77BBr2F4N12O4 — CID 163683352

About 3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 163683352) has the molecular formula C92H77BBr2F4N12O4 and a molecular weight of 1661.32 g/mol. Its IUPAC name is 3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

• Compound Name: 3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• PubChem CID: 163683352
• Molecular Formula: C92H77BBr2F4N12O4
• Molecular Weight: 1661.32 g/mol
• Exact Mass: 1658.46
• IUPAC Name: 3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• SMILES: COC(=O)c1cc(-c2ccc3nccc(C)c3c2)c(-c2ccc(F)cc2)nc1N.Cc1ccnc2ccc(-c3cc(Br)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ccnc2ccc(-c3ccc(N)nc3-c3ccc(F)cc3)cc12.Cc1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.Nc1ccc(Br)c(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C23H18FN3O2.C21H15BrFN3.C21H16FN3.C16H20BNO2.C11H8BrFN2/c1-13-9-10-26-20-8-5-15(11-17(13)20)18-12-19(23(28)29-2)22(25)27-21(18)14-3-6-16(24)7-4-14;1-12-8-9-25-19-7-4-14(10-16(12)19)17-11-18(22)21(24)26-20(17)13-2-5-15(23)6-3-13;1-13-10-11-24-19-8-4-15(12-18(13)19)17-7-9-20(23)25-21(17)14-2-5-16(22)6-3-14;1-11-8-9-18-14-7-6-12(10-13(11)14)17-19-15(2,3)16(4,5)20-17;12-9-5-6-10(14)15-11(9)7-1-3-8(13)4-2-7/h3-12H,1-2H3,(H2,25,27);2-11H,1H3,(H2,24,26);2-12H,1H3,(H2,23,25);6-10H,1-5H3;1-6H,(H2,14,15)
• InChIKey: JMRZHGULADTGLK-UHFFFAOYSA-N
• XLogP: 21.60
• TPSA: 251.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1661.32
LogP ≤ 5	21.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The IUPAC name of 3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 163683352) is 3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

What is the SMILES notation for 3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The canonical SMILES for 3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is COC(=O)c1cc(-c2ccc3nccc(C)c3c2)c(-c2ccc(F)cc2)nc1N.Cc1ccnc2ccc(-c3cc(Br)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ccnc2ccc(-c3ccc(N)nc3-c3ccc(F)cc3)cc12.Cc1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.Nc1ccc(Br)c(-c2ccc(F)cc2)n1.

What is the InChIKey of 3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The InChIKey is JMRZHGULADTGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2.C21H15BrFN3.C21H16FN3.C16H20BNO2.C11H8BrFN2/c1-13-9-10-26-20-8-5-15(11-17(13)20)18-12-19(23(28)29-2)22(25)27-21(18)14-3-6-16(24)7-4-14;1-12-8-9-25-19-7-4-14(10-16(12)19)17-11-18(22)21(24)26-20(17)13-2-5-15(23)6-3-13;1-13-10-11-24-19-8-4-15(12-18(13)19)17-7-9-20(23)25-21(17)14-2-5-16(22)6-3-14;1-11-8-9-18-14-7-6-12(10-13(11)14)17-19-15(2,3)16(4,5)20-17;12-9-5-6-10(14)15-11(9)7-1-3-8(13)4-2-7/h3-12H,1-2H3,(H2,25,27);2-11H,1H3,(H2,24,26);2-12H,1H3,(H2,23,25);6-10H,1-5H3;1-6H,(H2,14,15).

What are the key properties of 3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 1661.32 g/mol, XLogP of 21.60, 9 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 163683352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).