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

C5H8B3NO6 — CID 142732158

IUPAC(2,6-diborono-4-pyridinyl)boronic acid
SMILESOB(O)c1cc(B(O)O)nc(B(O)O)c1
InChIInChI=1S/C5H8B3NO6/c10-6(11)3-1-4(7(12)13)9-5(2-3)8(14)15/h1-2,10-15H
InChIKeyBYVNDCSWJJNWFR-UHFFFAOYSA-N
MW210.56 g/mol
LogP-5.88
Rot. Bonds3

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

(2,6-diborono-4-pyridinyl)boronic acid (PubChem CID 142732158) has the molecular formula C5H8B3NO6 and a molecular weight of 210.56 g/mol. Its IUPAC name is (2,6-diborono-4-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2,6-diborono-4-pyridinyl)boronic acid
PubChem CID142732158
Molecular FormulaC5H8B3NO6
Molecular Weight210.56 g/mol
Exact Mass211.06
IUPAC Name(2,6-diborono-4-pyridinyl)boronic acid
SMILESOB(O)c1cc(B(O)O)nc(B(O)O)c1
InChIInChI=1S/C5H8B3NO6/c10-6(11)3-1-4(7(12)13)9-5(2-3)8(14)15/h1-2,10-15H
InChIKeyBYVNDCSWJJNWFR-UHFFFAOYSA-N
XLogP-5.88
TPSA134.27 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.56
LogP ≤ 5-5.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-bicyclo[3.1.0]hexa-1(6),2,4-trienylboronic acid
CID 123375323
(2-bromopyrimidin-5-yl)boronic acid
CID 46864096
[6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid
CID 174032755
(3,5-dibromo-4-fluorophenyl)boronic acid
CID 130750090
[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]boronic acid
CID 140784841
[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]boronic acid
CID 171054914
ethane;phenylboronic acid
CID 54560949
(3-bromo-5-trimethylsilylphenyl)boronic acid
CID 165347857
(3-fluoro-5-methylphenyl)boronic acid
CID 19261265
phenylboronic acid;pyridine
CID 160947714
CID 71182037
CID 71182037
CID 88973644
CID 88973644

Frequently Asked Questions

What is the IUPAC name of (2,6-diborono-4-pyridinyl)boronic acid?
The IUPAC name of (2,6-diborono-4-pyridinyl)boronic acid (CID 142732158) is (2,6-diborono-4-pyridinyl)boronic acid.
What is the SMILES notation for (2,6-diborono-4-pyridinyl)boronic acid?
The canonical SMILES for (2,6-diborono-4-pyridinyl)boronic acid is OB(O)c1cc(B(O)O)nc(B(O)O)c1.
What is the InChIKey of (2,6-diborono-4-pyridinyl)boronic acid?
The InChIKey is BYVNDCSWJJNWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8B3NO6/c10-6(11)3-1-4(7(12)13)9-5(2-3)8(14)15/h1-2,10-15H.
What are the key properties of (2,6-diborono-4-pyridinyl)boronic acid?
(2,6-diborono-4-pyridinyl)boronic acid has a molecular weight of 210.56 g/mol, XLogP of -5.88, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diborono-4-pyridinyl)boronic acid is sourced from PubChem (CID 142732158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).