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

C7H11BN2O3 — CID 71301500

IUPAC[2-(2-aminoethoxy)-4-pyridinyl]boronic acid
SMILESNCCOc1cc(B(O)O)ccn1
InChIInChI=1S/C7H11BN2O3/c9-2-4-13-7-5-6(8(11)12)1-3-10-7/h1,3,5,11-12H,2,4,9H2
InChIKeyBCCLZALQWWJVNH-UHFFFAOYSA-N
MW181.99 g/mol
LogP-1.90
Rot. Bonds4

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

[2-(2-aminoethoxy)-4-pyridinyl]boronic acid (PubChem CID 71301500) has the molecular formula C7H11BN2O3 and a molecular weight of 181.99 g/mol. Its IUPAC name is [2-(2-aminoethoxy)-4-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-(2-aminoethoxy)-4-pyridinyl]boronic acid
PubChem CID71301500
Molecular FormulaC7H11BN2O3
Molecular Weight181.99 g/mol
Exact Mass182.09
IUPAC Name[2-(2-aminoethoxy)-4-pyridinyl]boronic acid
SMILESNCCOc1cc(B(O)O)ccn1
InChIInChI=1S/C7H11BN2O3/c9-2-4-13-7-5-6(8(11)12)1-3-10-7/h1,3,5,11-12H,2,4,9H2
InChIKeyBCCLZALQWWJVNH-UHFFFAOYSA-N
XLogP-1.90
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.99
LogP ≤ 5-1.90
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 [2-(2-aminoethoxy)-4-pyridinyl]boronic acid?
The IUPAC name of [2-(2-aminoethoxy)-4-pyridinyl]boronic acid (CID 71301500) is [2-(2-aminoethoxy)-4-pyridinyl]boronic acid.
What is the SMILES notation for [2-(2-aminoethoxy)-4-pyridinyl]boronic acid?
The canonical SMILES for [2-(2-aminoethoxy)-4-pyridinyl]boronic acid is NCCOc1cc(B(O)O)ccn1.
What is the InChIKey of [2-(2-aminoethoxy)-4-pyridinyl]boronic acid?
The InChIKey is BCCLZALQWWJVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BN2O3/c9-2-4-13-7-5-6(8(11)12)1-3-10-7/h1,3,5,11-12H,2,4,9H2.
What are the key properties of [2-(2-aminoethoxy)-4-pyridinyl]boronic acid?
[2-(2-aminoethoxy)-4-pyridinyl]boronic acid has a molecular weight of 181.99 g/mol, XLogP of -1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethoxy)-4-pyridinyl]boronic acid is sourced from PubChem (CID 71301500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).