(6-ethoxy-3-pyridinyl)boronic acid

C7H10BNO3 — CID 12012237

IUPAC(6-ethoxy-3-pyridinyl)boronic acid
SMILESCCOc1ccc(B(O)O)cn1
InChIInChI=1S/C7H10BNO3/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3
InChIKeyUONCERAQKBPLML-UHFFFAOYSA-N
MW166.97 g/mol
LogP-0.84
Rot. Bonds3

About (6-ethoxy-3-pyridinyl)boronic acid

(6-ethoxy-3-pyridinyl)boronic acid (PubChem CID 12012237) has the molecular formula C7H10BNO3 and a molecular weight of 166.97 g/mol. Its IUPAC name is (6-ethoxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-ethoxy-3-pyridinyl)boronic acid
PubChem CID12012237
Molecular FormulaC7H10BNO3
Molecular Weight166.97 g/mol
Exact Mass167.08
IUPAC Name(6-ethoxy-3-pyridinyl)boronic acid
SMILESCCOc1ccc(B(O)O)cn1
InChIInChI=1S/C7H10BNO3/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3
InChIKeyUONCERAQKBPLML-UHFFFAOYSA-N
XLogP-0.84
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.97
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (6-ethoxy-3-pyridinyl)boronic acid?
The IUPAC name of (6-ethoxy-3-pyridinyl)boronic acid (CID 12012237) is (6-ethoxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-ethoxy-3-pyridinyl)boronic acid?
The canonical SMILES for (6-ethoxy-3-pyridinyl)boronic acid is CCOc1ccc(B(O)O)cn1.
What is the InChIKey of (6-ethoxy-3-pyridinyl)boronic acid?
The InChIKey is UONCERAQKBPLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO3/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3.
What are the key properties of (6-ethoxy-3-pyridinyl)boronic acid?
(6-ethoxy-3-pyridinyl)boronic acid has a molecular weight of 166.97 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 12012237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).