[5-(3-phenylphenyl)-3-pyridinyl]boronic acid

C17H14BNO2 — CID 141281758

IUPAC[5-(3-phenylphenyl)-3-pyridinyl]boronic acid
SMILESOB(O)c1cncc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C17H14BNO2/c20-18(21)17-10-16(11-19-12-17)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12,20-21H
InChIKeyOVSOZFVNTXVKCH-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.10
Rot. Bonds3

About [5-(3-phenylphenyl)-3-pyridinyl]boronic acid

[5-(3-phenylphenyl)-3-pyridinyl]boronic acid (PubChem CID 141281758) has the molecular formula C17H14BNO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is [5-(3-phenylphenyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[5-(3-phenylphenyl)-3-pyridinyl]boronic acid
PubChem CID141281758
Molecular FormulaC17H14BNO2
Molecular Weight275.12 g/mol
Exact Mass275.11
IUPAC Name[5-(3-phenylphenyl)-3-pyridinyl]boronic acid
SMILESOB(O)c1cncc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C17H14BNO2/c20-18(21)17-10-16(11-19-12-17)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12,20-21H
InChIKeyOVSOZFVNTXVKCH-UHFFFAOYSA-N
XLogP2.10
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-[3-(aminomethyl)phenyl]-3-pyridinyl]boronic acid
CID 67451424
ethane;[3-(3-phenylphenyl)phenyl]boronic acid
CID 143904580
[3-(4-phenylphenyl)phenyl]boronic acid
CID 71235180
phenoxy-(5-phenyl-3-pyridinyl)borinic acid
CID 155668747
[5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid
CID 67451819
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
3-phenyl-5-[10-(5-phenyl-3-pyridinyl)anthracen-9-yl]pyridine
CID 88908908
5-phenylpyridin-3-ol
CID 2762902
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
4-chloro-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-dichloro-2-phenylpyrimidine;(3-phenylphenyl)boronic acid
CID 163457362
2,4-bis(3-chlorophenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4,6-bis(3-chlorophenyl)-1,3,5-triazine;(3-phenylphenyl)boronic acid
CID 161053380

Frequently Asked Questions

What is the IUPAC name of [5-(3-phenylphenyl)-3-pyridinyl]boronic acid?
The IUPAC name of [5-(3-phenylphenyl)-3-pyridinyl]boronic acid (CID 141281758) is [5-(3-phenylphenyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [5-(3-phenylphenyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [5-(3-phenylphenyl)-3-pyridinyl]boronic acid is OB(O)c1cncc(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of [5-(3-phenylphenyl)-3-pyridinyl]boronic acid?
The InChIKey is OVSOZFVNTXVKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BNO2/c20-18(21)17-10-16(11-19-12-17)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12,20-21H.
What are the key properties of [5-(3-phenylphenyl)-3-pyridinyl]boronic acid?
[5-(3-phenylphenyl)-3-pyridinyl]boronic acid has a molecular weight of 275.12 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-phenylphenyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 141281758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).