5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

C70H66B2BrClF8N12O4 — CID 163435945

About 5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline (PubChem CID 163435945) has the molecular formula C70H66B2BrClF8N12O4 and a molecular weight of 1428.34 g/mol. Its IUPAC name is 5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline.

Molecular Properties

• Compound Name: 5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
• PubChem CID: 163435945
• Molecular Formula: C70H66B2BrClF8N12O4
• Molecular Weight: 1428.34 g/mol
• Exact Mass: 1426.43
• IUPAC Name: 5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
• SMILES: C.C.Cc1ncnc2ccc(-c3cc(F)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.Nc1nc(-c2ccc(F)cc2)c(Br)cc1F.Nc1nc(-c2ccc(F)cc2)ccc1F.Nc1nc(Cl)ccc1F.OB(O)c1ccc(F)cc1
• InChI: InChI=1S/C20H14F2N4.C15H19BN2O2.C11H7BrF2N2.C11H8F2N2.C6H6BFO2.C5H4ClFN2.2CH4/c1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(22)20(23)26-19(16)12-2-5-14(21)6-3-12;1-10-12-8-11(6-7-13(12)18-9-17-10)16-19-14(2,3)15(4,5)20-16;12-8-5-9(14)11(15)16-10(8)6-1-3-7(13)4-2-6;12-8-3-1-7(2-4-8)10-6-5-9(13)11(14)15-10;8-6-3-1-5(2-4-6)7(9)10;6-4-2-1-3(7)5(8)9-4;;/h2-10H,1H3,(H2,23,26);6-9H,1-5H3;1-5H,(H2,15,16);1-6H,(H2,14,15);1-4,9-10H;1-2H,(H2,8,9);2*1H4
• InChIKey: AUMORKPHLAFNNO-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 266.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1428.34
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

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 5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

The IUPAC name of 5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline (CID 163435945) is 5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline.

What is the SMILES notation for 5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

The canonical SMILES for 5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline is C.C.Cc1ncnc2ccc(-c3cc(F)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.Nc1nc(-c2ccc(F)cc2)c(Br)cc1F.Nc1nc(-c2ccc(F)cc2)ccc1F.Nc1nc(Cl)ccc1F.OB(O)c1ccc(F)cc1.

What is the InChIKey of 5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

The InChIKey is AUMORKPHLAFNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4.C15H19BN2O2.C11H7BrF2N2.C11H8F2N2.C6H6BFO2.C5H4ClFN2.2CH4/c1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(22)20(23)26-19(16)12-2-5-14(21)6-3-12;1-10-12-8-11(6-7-13(12)18-9-17-10)16-19-14(2,3)15(4,5)20-16;12-8-5-9(14)11(15)16-10(8)6-1-3-7(13)4-2-6;12-8-3-1-7(2-4-8)10-6-5-9(13)11(14)15-10;8-6-3-1-5(2-4-6)7(9)10;6-4-2-1-3(7)5(8)9-4;;/h2-10H,1H3,(H2,23,26);6-9H,1-5H3;1-5H,(H2,15,16);1-6H,(H2,14,15);1-4,9-10H;1-2H,(H2,8,9);2*1H4.

What are the key properties of 5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline has a molecular weight of 1428.34 g/mol, XLogP of 14.98, 6 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;6-chloro-3-fluoropyridin-2-amine;3-fluoro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;3-fluoro-6-(4-fluorophenyl)pyridin-2-amine;(4-fluorophenyl)boronic acid;methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline is sourced from PubChem (CID 163435945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).