(6-phenyl-3-pyridinyl)oxyboronic acid

C11H10BNO3 — CID 71236439

IUPAC(6-phenyl-3-pyridinyl)oxyboronic acid
SMILESOB(O)Oc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C11H10BNO3/c14-12(15)16-10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8,14-15H
InChIKeyVDHPNCCPKYXAJA-UHFFFAOYSA-N
MW215.02 g/mol
LogP1.10
Rot. Bonds3

About (6-phenyl-3-pyridinyl)oxyboronic acid

(6-phenyl-3-pyridinyl)oxyboronic acid (PubChem CID 71236439) has the molecular formula C11H10BNO3 and a molecular weight of 215.02 g/mol. Its IUPAC name is (6-phenyl-3-pyridinyl)oxyboronic acid.

Molecular Properties

Compound Name(6-phenyl-3-pyridinyl)oxyboronic acid
PubChem CID71236439
Molecular FormulaC11H10BNO3
Molecular Weight215.02 g/mol
Exact Mass215.08
IUPAC Name(6-phenyl-3-pyridinyl)oxyboronic acid
SMILESOB(O)Oc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C11H10BNO3/c14-12(15)16-10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8,14-15H
InChIKeyVDHPNCCPKYXAJA-UHFFFAOYSA-N
XLogP1.10
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.02
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-phenyl-3-pyridinyl) trifluoromethanesulfonate
CID 101475551
5-(2,6-dimethylphenoxy)-2-phenylpyridine
CID 168848324
tris(6-phenyl-3-pyridinyl) benzene-1,3,5-tricarboxylate
CID 126638838
tris[6-(4-phenylphenyl)-3-pyridinyl] cyclohexane-1,3,5-tricarboxylate
CID 134178810
6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
CID 155192033
5-bromo-2-(4-phenylphenyl)pyridine
CID 59156304
1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one
CID 142368825
dimethyl-phenyl-(6-phenyl-3-pyridinyl)silane
CID 132565946
(4,6-diphenyl-2-pyridinyl)oxyboronic acid
CID 175060853
2-phenyl-5-(piperidin-4-ylmethoxy)pyridine
CID 127025530
2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole
CID 75483681
phenyl-(6-phenyl-3-pyridinyl)methanone
CID 10890606

Frequently Asked Questions

What is the IUPAC name of (6-phenyl-3-pyridinyl)oxyboronic acid?
The IUPAC name of (6-phenyl-3-pyridinyl)oxyboronic acid (CID 71236439) is (6-phenyl-3-pyridinyl)oxyboronic acid.
What is the SMILES notation for (6-phenyl-3-pyridinyl)oxyboronic acid?
The canonical SMILES for (6-phenyl-3-pyridinyl)oxyboronic acid is OB(O)Oc1ccc(-c2ccccc2)nc1.
What is the InChIKey of (6-phenyl-3-pyridinyl)oxyboronic acid?
The InChIKey is VDHPNCCPKYXAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BNO3/c14-12(15)16-10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8,14-15H.
What are the key properties of (6-phenyl-3-pyridinyl)oxyboronic acid?
(6-phenyl-3-pyridinyl)oxyboronic acid has a molecular weight of 215.02 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-3-pyridinyl)oxyboronic acid is sourced from PubChem (CID 71236439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).