(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid

C13H19BN2O3 — CID 91828086

IUPAC(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid
SMILESCC(C)(O)C(C)(C)OB(O)c1ccn2ccnc2c1
InChIInChI=1S/C13H19BN2O3/c1-12(2,17)13(3,4)19-14(18)10-5-7-16-8-6-15-11(16)9-10/h5-9,17-18H,1-4H3
InChIKeySWPWFMWGNHHETF-UHFFFAOYSA-N
MW262.12 g/mol
LogP0.59
Rot. Bonds4

About (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid

(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid (PubChem CID 91828086) has the molecular formula C13H19BN2O3 and a molecular weight of 262.12 g/mol. Its IUPAC name is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid.

Molecular Properties

Compound Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid
PubChem CID91828086
Molecular FormulaC13H19BN2O3
Molecular Weight262.12 g/mol
Exact Mass262.15
IUPAC Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid
SMILESCC(C)(O)C(C)(C)OB(O)c1ccn2ccnc2c1
InChIInChI=1S/C13H19BN2O3/c1-12(2,17)13(3,4)19-14(18)10-5-7-16-8-6-15-11(16)9-10/h5-9,17-18H,1-4H3
InChIKeySWPWFMWGNHHETF-UHFFFAOYSA-N
XLogP0.59
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 50.59
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 (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid?
The IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid (CID 91828086) is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid.
What is the SMILES notation for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid?
The canonical SMILES for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid is CC(C)(O)C(C)(C)OB(O)c1ccn2ccnc2c1.
What is the InChIKey of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid?
The InChIKey is SWPWFMWGNHHETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BN2O3/c1-12(2,17)13(3,4)19-14(18)10-5-7-16-8-6-15-11(16)9-10/h5-9,17-18H,1-4H3.
What are the key properties of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid?
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid has a molecular weight of 262.12 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid is sourced from PubChem (CID 91828086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).