2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

C25H37B2Br3N2O5 — CID 165039712

IUPAC2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
SMILESBrc1ccc(Br)nc1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2ccc(Br)nc2)OC1(C)C
InChIInChI=1S/C11H15BBrNO2.C9H19BO3.C5H3Br2N/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-7(2)11-10-12-8(3,4)9(5,6)13-10;6-4-1-2-5(7)8-3-4/h5-7H,1-4H3;7H,1-6H3;1-3H
InChIKeyNXTZXMKJQMQFJF-UHFFFAOYSA-N
MW706.92 g/mol
LogP6.75
Rot. Bonds3

About 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (PubChem CID 165039712) has the molecular formula C25H37B2Br3N2O5 and a molecular weight of 706.92 g/mol. Its IUPAC name is 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
PubChem CID165039712
Molecular FormulaC25H37B2Br3N2O5
Molecular Weight706.92 g/mol
Exact Mass704.04
IUPAC Name2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
SMILESBrc1ccc(Br)nc1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2ccc(Br)nc2)OC1(C)C
InChIInChI=1S/C11H15BBrNO2.C9H19BO3.C5H3Br2N/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-7(2)11-10-12-8(3,4)9(5,6)13-10;6-4-1-2-5(7)8-3-4/h5-7H,1-4H3;7H,1-6H3;1-3H
InChIKeyNXTZXMKJQMQFJF-UHFFFAOYSA-N
XLogP6.75
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.92
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The IUPAC name of 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (CID 165039712) is 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.
What is the SMILES notation for 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The canonical SMILES for 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is Brc1ccc(Br)nc1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2ccc(Br)nc2)OC1(C)C.
What is the InChIKey of 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The InChIKey is NXTZXMKJQMQFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BBrNO2.C9H19BO3.C5H3Br2N/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-7(2)11-10-12-8(3,4)9(5,6)13-10;6-4-1-2-5(7)8-3-4/h5-7H,1-4H3;7H,1-6H3;1-3H.
What are the key properties of 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane has a molecular weight of 706.92 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is sourced from PubChem (CID 165039712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).