(2,6-dibromophenyl)boronic acid;1,8-naphthyridine

C14H11BBr2N2O2 — CID 139125201

IUPAC(2,6-dibromophenyl)boronic acid;1,8-naphthyridine
SMILESOB(O)c1c(Br)cccc1Br.c1cnc2ncccc2c1
InChIInChI=1S/C8H6N2.C6H5BBr2O2/c1-3-7-4-2-6-10-8(7)9-5-1;8-4-2-1-3-5(9)6(4)7(10)11/h1-6H;1-3,10-11H
InChIKeyNJKCGNBESAWVHK-UHFFFAOYSA-N
MW409.87 g/mol
LogP2.52
Rot. Bonds1

About (2,6-dibromophenyl)boronic acid;1,8-naphthyridine

(2,6-dibromophenyl)boronic acid;1,8-naphthyridine (PubChem CID 139125201) has the molecular formula C14H11BBr2N2O2 and a molecular weight of 409.87 g/mol. Its IUPAC name is (2,6-dibromophenyl)boronic acid;1,8-naphthyridine.

Molecular Properties

Compound Name(2,6-dibromophenyl)boronic acid;1,8-naphthyridine
PubChem CID139125201
Molecular FormulaC14H11BBr2N2O2
Molecular Weight409.87 g/mol
Exact Mass407.93
IUPAC Name(2,6-dibromophenyl)boronic acid;1,8-naphthyridine
SMILESOB(O)c1c(Br)cccc1Br.c1cnc2ncccc2c1
InChIInChI=1S/C8H6N2.C6H5BBr2O2/c1-3-7-4-2-6-10-8(7)9-5-1;8-4-2-1-3-5(9)6(4)7(10)11/h1-6H;1-3,10-11H
InChIKeyNJKCGNBESAWVHK-UHFFFAOYSA-N
XLogP2.52
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dibromophenyl)boronic acid;1,8-naphthyridine?
The IUPAC name of (2,6-dibromophenyl)boronic acid;1,8-naphthyridine (CID 139125201) is (2,6-dibromophenyl)boronic acid;1,8-naphthyridine.
What is the SMILES notation for (2,6-dibromophenyl)boronic acid;1,8-naphthyridine?
The canonical SMILES for (2,6-dibromophenyl)boronic acid;1,8-naphthyridine is OB(O)c1c(Br)cccc1Br.c1cnc2ncccc2c1.
What is the InChIKey of (2,6-dibromophenyl)boronic acid;1,8-naphthyridine?
The InChIKey is NJKCGNBESAWVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C6H5BBr2O2/c1-3-7-4-2-6-10-8(7)9-5-1;8-4-2-1-3-5(9)6(4)7(10)11/h1-6H;1-3,10-11H.
What are the key properties of (2,6-dibromophenyl)boronic acid;1,8-naphthyridine?
(2,6-dibromophenyl)boronic acid;1,8-naphthyridine has a molecular weight of 409.87 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibromophenyl)boronic acid;1,8-naphthyridine is sourced from PubChem (CID 139125201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).