imidazo[1,2-a]pyridin-8-yloxyboronic acid

C7H7BN2O3 — CID 153409442

IUPACimidazo[1,2-a]pyridin-8-yloxyboronic acid
SMILESOB(O)Oc1cccn2ccnc12
InChIInChI=1S/C7H7BN2O3/c11-8(12)13-6-2-1-4-10-5-3-9-7(6)10/h1-5,11-12H
InChIKeyAVHVYGYUHKLQAQ-UHFFFAOYSA-N
MW177.96 g/mol
LogP-0.32
Rot. Bonds2

About imidazo[1,2-a]pyridin-8-yloxyboronic acid

imidazo[1,2-a]pyridin-8-yloxyboronic acid (PubChem CID 153409442) has the molecular formula C7H7BN2O3 and a molecular weight of 177.96 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-8-yloxyboronic acid.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-8-yloxyboronic acid
PubChem CID153409442
Molecular FormulaC7H7BN2O3
Molecular Weight177.96 g/mol
Exact Mass178.05
IUPAC Nameimidazo[1,2-a]pyridin-8-yloxyboronic acid
SMILESOB(O)Oc1cccn2ccnc12
InChIInChI=1S/C7H7BN2O3/c11-8(12)13-6-2-1-4-10-5-3-9-7(6)10/h1-5,11-12H
InChIKeyAVHVYGYUHKLQAQ-UHFFFAOYSA-N
XLogP-0.32
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.96
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide
CID 82147620
imidazo[1,2-a]pyridin-8-amine;hydrochloride
CID 118705200
2-(imidazo[1,2-a]pyridin-8-yloxymethyl)benzoic acid
CID 82146579
imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
imidazo[1,2-a]pyridin-8-ylmethanamine
CID 18766910
N-tert-butylimidazo[1,2-a]pyridin-8-amine
CID 139390352
(1-imidazo[1,2-a]pyridin-8-ylimidazol-4-yl)methanol
CID 178134181
ethane;(1-imidazo[1,2-a]pyridin-8-ylimidazol-4-yl)methanol
CID 178134180
N-(2-methylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 110704434
imidazo[1,2-a]pyridin-8-yl(piperidin-1-yl)methanone
CID 110704345
1-imidazo[1,2-a]pyridin-8-ylpropan-2-amine
CID 83865765
tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate
CID 139447783

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-8-yloxyboronic acid?
The IUPAC name of imidazo[1,2-a]pyridin-8-yloxyboronic acid (CID 153409442) is imidazo[1,2-a]pyridin-8-yloxyboronic acid.
What is the SMILES notation for imidazo[1,2-a]pyridin-8-yloxyboronic acid?
The canonical SMILES for imidazo[1,2-a]pyridin-8-yloxyboronic acid is OB(O)Oc1cccn2ccnc12.
What is the InChIKey of imidazo[1,2-a]pyridin-8-yloxyboronic acid?
The InChIKey is AVHVYGYUHKLQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BN2O3/c11-8(12)13-6-2-1-4-10-5-3-9-7(6)10/h1-5,11-12H.
What are the key properties of imidazo[1,2-a]pyridin-8-yloxyboronic acid?
imidazo[1,2-a]pyridin-8-yloxyboronic acid has a molecular weight of 177.96 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-8-yloxyboronic acid is sourced from PubChem (CID 153409442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).