[5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid

C15H17BN2O3 — CID 67451819

IUPAC[5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid
SMILESOB(O)c1cncc(-c2cccc(N3CCOCC3)c2)c1
InChIInChI=1S/C15H17BN2O3/c19-16(20)14-8-13(10-17-11-14)12-2-1-3-15(9-12)18-4-6-21-7-5-18/h1-3,8-11,19-20H,4-7H2
InChIKeyGGNUYZQZYXLMCJ-UHFFFAOYSA-N
MW284.12 g/mol
LogP0.26
Rot. Bonds3

About [5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid

[5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid (PubChem CID 67451819) has the molecular formula C15H17BN2O3 and a molecular weight of 284.12 g/mol. Its IUPAC name is [5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid
PubChem CID67451819
Molecular FormulaC15H17BN2O3
Molecular Weight284.12 g/mol
Exact Mass284.13
IUPAC Name[5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid
SMILESOB(O)c1cncc(-c2cccc(N3CCOCC3)c2)c1
InChIInChI=1S/C15H17BN2O3/c19-16(20)14-8-13(10-17-11-14)12-2-1-3-15(9-12)18-4-6-21-7-5-18/h1-3,8-11,19-20H,4-7H2
InChIKeyGGNUYZQZYXLMCJ-UHFFFAOYSA-N
XLogP0.26
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 50.26
H-Bond Donors ≤ 52
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-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid?
The IUPAC name of [5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid (CID 67451819) is [5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid is OB(O)c1cncc(-c2cccc(N3CCOCC3)c2)c1.
What is the InChIKey of [5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid?
The InChIKey is GGNUYZQZYXLMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BN2O3/c19-16(20)14-8-13(10-17-11-14)12-2-1-3-15(9-12)18-4-6-21-7-5-18/h1-3,8-11,19-20H,4-7H2.
What are the key properties of [5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid?
[5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid has a molecular weight of 284.12 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 67451819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).