(2,6-dichloro-4-pyridinyl)boronic acid

C5H4BCl2NO2 — CID 46739131

IUPAC(2,6-dichloro-4-pyridinyl)boronic acid
SMILESOB(O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C5H4BCl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2,10-11H
InChIKeyJFUQZFQJFYZZGY-UHFFFAOYSA-N
MW191.81 g/mol
LogP0.07
Rot. Bonds1

About (2,6-dichloro-4-pyridinyl)boronic acid

(2,6-dichloro-4-pyridinyl)boronic acid (PubChem CID 46739131) has the molecular formula C5H4BCl2NO2 and a molecular weight of 191.81 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)boronic acid
PubChem CID46739131
Molecular FormulaC5H4BCl2NO2
Molecular Weight191.81 g/mol
Exact Mass190.97
IUPAC Name(2,6-dichloro-4-pyridinyl)boronic acid
SMILESOB(O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C5H4BCl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2,10-11H
InChIKeyJFUQZFQJFYZZGY-UHFFFAOYSA-N
XLogP0.07
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.81
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2,6-dichloro-4-pyridinyl)boronic acid?
The IUPAC name of (2,6-dichloro-4-pyridinyl)boronic acid (CID 46739131) is (2,6-dichloro-4-pyridinyl)boronic acid.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)boronic acid?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)boronic acid is OB(O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)boronic acid?
The InChIKey is JFUQZFQJFYZZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BCl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2,10-11H.
What are the key properties of (2,6-dichloro-4-pyridinyl)boronic acid?
(2,6-dichloro-4-pyridinyl)boronic acid has a molecular weight of 191.81 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)boronic acid is sourced from PubChem (CID 46739131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).