2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane

C84H132B7Br2ClF2N4O14 — CID 158681378

About 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane

2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane (PubChem CID 158681378) has the molecular formula C84H132B7Br2ClF2N4O14 and a molecular weight of 1730.93 g/mol. Its IUPAC name is 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane
• PubChem CID: 158681378
• Molecular Formula: C84H132B7Br2ClF2N4O14
• Molecular Weight: 1730.93 g/mol
• Exact Mass: 1728.84
• IUPAC Name: 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane
• SMILES: C.CC1(C)COB(c2cc(F)cc(F)c2)OC1.CC1(C)OB(c2cccnc2)OC1(C)C.CC1(C)OB(c2cccnc2Br)OC1(C)C.CC1(C)OB(c2cncc(Br)c2)OC1(C)C.CCC/C=C(\CCC)B1OC(C)(C)C(C)(C)O1.CCCCC/C=C/B1OC(C)(C)C(C)(C)O1.Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl
• InChI: InChI=1S/C14H27BO2.C13H25BO2.C12H17BClNO2.2C11H15BBrNO2.C11H13BF2O2.C11H16BNO2.CH4/c1-7-9-11-12(10-8-2)15-16-13(3,4)14(5,6)17-15;1-6-7-8-9-10-11-14-15-12(2,3)13(4,5)16-14;1-8-6-9(7-15-10(8)14)13-16-11(2,3)12(4,5)17-13;1-10(2)11(3,4)16-12(15-10)8-5-9(13)7-14-6-8;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-11(2)6-15-12(16-7-11)8-3-9(13)5-10(14)4-8;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9;/h11H,7-10H2,1-6H3;10-11H,6-9H2,1-5H3;6-7H,1-5H3;2*5-7H,1-4H3;3-5H,6-7H2,1-2H3;5-8H,1-4H3;1H4/b12-11+;11-10+
• InChIKey: IFECKUBMGSVRMG-CEOGUNSHSA-N
• XLogP: 18.28
• TPSA: 180.78 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1730.93
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane?

The IUPAC name of 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane (CID 158681378) is 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane?

The canonical SMILES for 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane is C.CC1(C)COB(c2cc(F)cc(F)c2)OC1.CC1(C)OB(c2cccnc2)OC1(C)C.CC1(C)OB(c2cccnc2Br)OC1(C)C.CC1(C)OB(c2cncc(Br)c2)OC1(C)C.CCC/C=C(\CCC)B1OC(C)(C)C(C)(C)O1.CCCCC/C=C/B1OC(C)(C)C(C)(C)O1.Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl.

What is the InChIKey of 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane?

The InChIKey is IFECKUBMGSVRMG-CEOGUNSHSA-N. The full InChI is InChI=1S/C14H27BO2.C13H25BO2.C12H17BClNO2.2C11H15BBrNO2.C11H13BF2O2.C11H16BNO2.CH4/c1-7-9-11-12(10-8-2)15-16-13(3,4)14(5,6)17-15;1-6-7-8-9-10-11-14-15-12(2,3)13(4,5)16-14;1-8-6-9(7-15-10(8)14)13-16-11(2,3)12(4,5)17-13;1-10(2)11(3,4)16-12(15-10)8-5-9(13)7-14-6-8;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-11(2)6-15-12(16-7-11)8-3-9(13)5-10(14)4-8;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9;/h11H,7-10H2,1-6H3;10-11H,6-9H2,1-5H3;6-7H,1-5H3;2*5-7H,1-4H3;3-5H,6-7H2,1-2H3;5-8H,1-4H3;1H4/b12-11+;11-10+;;;;;;.

What are the key properties of 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane?

2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane has a molecular weight of 1730.93 g/mol, XLogP of 18.28, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-[(E)-hept-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-[(Z)-oct-4-en-4-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 158681378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).