4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C59H63B3BrClF4N16O6 — CID 162112755

About 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 162112755) has the molecular formula C59H63B3BrClF4N16O6 and a molecular weight of 1316.04 g/mol. Its IUPAC name is 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 162112755
• Molecular Formula: C59H63B3BrClF4N16O6
• Molecular Weight: 1316.04 g/mol
• Exact Mass: 1314.42
• IUPAC Name: 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccnc(F)c2)OC1(C)C.Fc1cc(Br)ccn1.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.Nc1ncnc2ccc(Cl)nc12
• InChI: InChI=1S/C12H24B2O4.2C12H8FN5.C11H15BFNO2.C7H5ClN4.C5H3BrFN/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;8-5-2-1-4-6(12-5)7(9)11-3-10-4;6-4-1-2-8-5(7)3-4/h1-8H3;2*1-6H,(H2,14,16,17);5-7H,1-4H3;1-3H,(H2,9,10,11);1-3H
• InChIKey: ZGJDIBUPDACUKR-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 301.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 4
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1316.04
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

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 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 162112755) is 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccnc(F)c2)OC1(C)C.Fc1cc(Br)ccn1.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.Nc1ncnc2ccc(Cl)nc12.

What is the InChIKey of 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is ZGJDIBUPDACUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B2O4.2C12H8FN5.C11H15BFNO2.C7H5ClN4.C5H3BrFN/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;8-5-2-1-4-6(12-5)7(9)11-3-10-4;6-4-1-2-8-5(7)3-4/h1-8H3;2*1-6H,(H2,14,16,17);5-7H,1-4H3;1-3H,(H2,9,10,11);1-3H.

What are the key properties of 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1316.04 g/mol, XLogP of 10.63, 4 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 162112755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).