[2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid

C7H11BN2O3 — CID 164518005

IUPAC[2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid
SMILESOCCNc1ncccc1B(O)O
InChIInChI=1S/C7H11BN2O3/c11-5-4-10-7-6(8(12)13)2-1-3-9-7/h1-3,11-13H,4-5H2,(H,9,10)
InChIKeyBDCMCCFQBOJCJE-UHFFFAOYSA-N
MW181.99 g/mol
LogP-1.83
Rot. Bonds4

About [2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid

[2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid (PubChem CID 164518005) has the molecular formula C7H11BN2O3 and a molecular weight of 181.99 g/mol. Its IUPAC name is [2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid
PubChem CID164518005
Molecular FormulaC7H11BN2O3
Molecular Weight181.99 g/mol
Exact Mass182.09
IUPAC Name[2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid
SMILESOCCNc1ncccc1B(O)O
InChIInChI=1S/C7H11BN2O3/c11-5-4-10-7-6(8(12)13)2-1-3-9-7/h1-3,11-13H,4-5H2,(H,9,10)
InChIKeyBDCMCCFQBOJCJE-UHFFFAOYSA-N
XLogP-1.83
TPSA85.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.99
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-propoxyethylamino)-3-pyridinyl]boronic acid
CID 174019564
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 82341834
2-[(2-methyl-3-pyridinyl)amino]ethanol
CID 18349954
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 82341835
2-[(3-methoxypyrazin-2-yl)amino]ethanol
CID 130736402
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
1-(2-hydroxyethylamino)isoquinoline-5-carboxylic acid
CID 82571100
(5-methylquinolin-8-yl)boronic acid
CID 59606741
1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid
CID 82571278

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid?
The IUPAC name of [2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid (CID 164518005) is [2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid.
What is the SMILES notation for [2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid?
The canonical SMILES for [2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid is OCCNc1ncccc1B(O)O.
What is the InChIKey of [2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid?
The InChIKey is BDCMCCFQBOJCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BN2O3/c11-5-4-10-7-6(8(12)13)2-1-3-9-7/h1-3,11-13H,4-5H2,(H,9,10).
What are the key properties of [2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid?
[2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid has a molecular weight of 181.99 g/mol, XLogP of -1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid is sourced from PubChem (CID 164518005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).