[4-(4-phenylphenyl)-2-pyridinyl]boronic acid

C17H14BNO2 — CID 141281762

IUPAC[4-(4-phenylphenyl)-2-pyridinyl]boronic acid
SMILESOB(O)c1cc(-c2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C17H14BNO2/c20-18(21)17-12-16(10-11-19-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,20-21H
InChIKeyVZSMVSGOAIUJGE-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.10
Rot. Bonds3

About [4-(4-phenylphenyl)-2-pyridinyl]boronic acid

[4-(4-phenylphenyl)-2-pyridinyl]boronic acid (PubChem CID 141281762) has the molecular formula C17H14BNO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is [4-(4-phenylphenyl)-2-pyridinyl]boronic acid.

Molecular Properties

Compound Name[4-(4-phenylphenyl)-2-pyridinyl]boronic acid
PubChem CID141281762
Molecular FormulaC17H14BNO2
Molecular Weight275.12 g/mol
Exact Mass275.11
IUPAC Name[4-(4-phenylphenyl)-2-pyridinyl]boronic acid
SMILESOB(O)c1cc(-c2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C17H14BNO2/c20-18(21)17-12-16(10-11-19-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,20-21H
InChIKeyVZSMVSGOAIUJGE-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

2-bromo-4-(4-phenylphenyl)pyridine
CID 138597174
(4-amino-2-pyridinyl)boronic acid
CID 53398486
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
[3-(4-phenylphenyl)phenyl]boronic acid
CID 71235180
[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]boronic acid
CID 171054914
[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]boronic acid
CID 140784841
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
[3-(4-phenylphenyl)-2-pyridinyl]boronic acid
CID 141410778
iodomethane;2-methyl-4-phenylpyridine
CID 143719183
7-bromoquinoline;phenylboronic acid;7-phenylquinoline
CID 159409892

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylphenyl)-2-pyridinyl]boronic acid?
The IUPAC name of [4-(4-phenylphenyl)-2-pyridinyl]boronic acid (CID 141281762) is [4-(4-phenylphenyl)-2-pyridinyl]boronic acid.
What is the SMILES notation for [4-(4-phenylphenyl)-2-pyridinyl]boronic acid?
The canonical SMILES for [4-(4-phenylphenyl)-2-pyridinyl]boronic acid is OB(O)c1cc(-c2ccc(-c3ccccc3)cc2)ccn1.
What is the InChIKey of [4-(4-phenylphenyl)-2-pyridinyl]boronic acid?
The InChIKey is VZSMVSGOAIUJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BNO2/c20-18(21)17-12-16(10-11-19-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,20-21H.
What are the key properties of [4-(4-phenylphenyl)-2-pyridinyl]boronic acid?
[4-(4-phenylphenyl)-2-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 [4-(4-phenylphenyl)-2-pyridinyl]boronic acid is sourced from PubChem (CID 141281762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).