[5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid

C17H14BNO4 — CID 53379376

IUPAC[5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid
SMILESO=c1c(O)cn(-c2cccc(-c3ccccc3)c2)cc1B(O)O
InChIInChI=1S/C17H14BNO4/c20-16-11-19(10-15(17(16)21)18(22)23)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,20,22-23H
InChIKeyRJVMGRMKRJSOAH-UHFFFAOYSA-N
MW307.11 g/mol
LogP0.89
Rot. Bonds3

About [5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid

[5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid (PubChem CID 53379376) has the molecular formula C17H14BNO4 and a molecular weight of 307.11 g/mol. Its IUPAC name is [5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid
PubChem CID53379376
Molecular FormulaC17H14BNO4
Molecular Weight307.11 g/mol
Exact Mass307.10
IUPAC Name[5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid
SMILESO=c1c(O)cn(-c2cccc(-c3ccccc3)c2)cc1B(O)O
InChIInChI=1S/C17H14BNO4/c20-16-11-19(10-15(17(16)21)18(22)23)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,20,22-23H
InChIKeyRJVMGRMKRJSOAH-UHFFFAOYSA-N
XLogP0.89
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 [5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid?
The IUPAC name of [5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid (CID 53379376) is [5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid is O=c1c(O)cn(-c2cccc(-c3ccccc3)c2)cc1B(O)O.
What is the InChIKey of [5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid?
The InChIKey is RJVMGRMKRJSOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BNO4/c20-16-11-19(10-15(17(16)21)18(22)23)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,20,22-23H.
What are the key properties of [5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid?
[5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid has a molecular weight of 307.11 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-4-oxo-1-(3-phenylphenyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 53379376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).