(5-hydroxy-6-iodo-3-pyridinyl)boronic acid

C5H5BINO3 — CID 91882767

IUPAC(5-hydroxy-6-iodo-3-pyridinyl)boronic acid
SMILESOB(O)c1cnc(I)c(O)c1
InChIInChI=1S/C5H5BINO3/c7-5-4(9)1-3(2-8-5)6(10)11/h1-2,9-11H
InChIKeyWWVZXAYDZJYFAY-UHFFFAOYSA-N
MW264.81 g/mol
LogP-0.93
Rot. Bonds1

About (5-hydroxy-6-iodo-3-pyridinyl)boronic acid

(5-hydroxy-6-iodo-3-pyridinyl)boronic acid (PubChem CID 91882767) has the molecular formula C5H5BINO3 and a molecular weight of 264.81 g/mol. Its IUPAC name is (5-hydroxy-6-iodo-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(5-hydroxy-6-iodo-3-pyridinyl)boronic acid
PubChem CID91882767
Molecular FormulaC5H5BINO3
Molecular Weight264.81 g/mol
Exact Mass264.94
IUPAC Name(5-hydroxy-6-iodo-3-pyridinyl)boronic acid
SMILESOB(O)c1cnc(I)c(O)c1
InChIInChI=1S/C5H5BINO3/c7-5-4(9)1-3(2-8-5)6(10)11/h1-2,9-11H
InChIKeyWWVZXAYDZJYFAY-UHFFFAOYSA-N
XLogP-0.93
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.81
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-ethyl-5-hydroxy-3-pyridinyl)boronic acid
CID 91882776
5-(hydroxymethyl)-2-iodopyridin-3-ol
CID 58053713
(6-amino-5-fluoro-3-pyridinyl)boronic acid
CID 91882688
(5-chloro-6-fluoro-3-pyridinyl)boronic acid
CID 71305234
(2-bromopyrimidin-5-yl)boronic acid
CID 46864096
(3,4-dihydroxyphenyl)boronic acid
CID 57416308
(6-chloro-5-methyl-3-pyridinyl)boronic acid;hydrate
CID 71432814
2-iodopyridin-3-ol;hydrochloride
CID 141441787
4-iodopyrimidin-5-ol
CID 19597629
5-(1,4-diazepan-1-yl)-2-iodopyridin-3-ol;hydrochloride
CID 11573964
(5-sulfamoyl-3-pyridinyl)boronic acid;hydrochloride
CID 154575030
(4-formyl-3,5-dihydroxyphenyl)boronic acid
CID 171487300

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-6-iodo-3-pyridinyl)boronic acid?
The IUPAC name of (5-hydroxy-6-iodo-3-pyridinyl)boronic acid (CID 91882767) is (5-hydroxy-6-iodo-3-pyridinyl)boronic acid.
What is the SMILES notation for (5-hydroxy-6-iodo-3-pyridinyl)boronic acid?
The canonical SMILES for (5-hydroxy-6-iodo-3-pyridinyl)boronic acid is OB(O)c1cnc(I)c(O)c1.
What is the InChIKey of (5-hydroxy-6-iodo-3-pyridinyl)boronic acid?
The InChIKey is WWVZXAYDZJYFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BINO3/c7-5-4(9)1-3(2-8-5)6(10)11/h1-2,9-11H.
What are the key properties of (5-hydroxy-6-iodo-3-pyridinyl)boronic acid?
(5-hydroxy-6-iodo-3-pyridinyl)boronic acid has a molecular weight of 264.81 g/mol, XLogP of -0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-6-iodo-3-pyridinyl)boronic acid is sourced from PubChem (CID 91882767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).