(3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid

C7H6BFN2O2 — CID 170774387

IUPAC(3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid
SMILESOB(O)c1ccc2ncc(F)n2c1
InChIInChI=1S/C7H6BFN2O2/c9-6-3-10-7-2-1-5(8(12)13)4-11(6)7/h1-4,12-13H
InChIKeyCLZURIKNVMXQAT-UHFFFAOYSA-N
MW179.95 g/mol
LogP-0.85
Rot. Bonds1

About (3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid

(3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid (PubChem CID 170774387) has the molecular formula C7H6BFN2O2 and a molecular weight of 179.95 g/mol. Its IUPAC name is (3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid.

Molecular Properties

Compound Name(3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid
PubChem CID170774387
Molecular FormulaC7H6BFN2O2
Molecular Weight179.95 g/mol
Exact Mass180.05
IUPAC Name(3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid
SMILESOB(O)c1ccc2ncc(F)n2c1
InChIInChI=1S/C7H6BFN2O2/c9-6-3-10-7-2-1-5(8(12)13)4-11(6)7/h1-4,12-13H
InChIKeyCLZURIKNVMXQAT-UHFFFAOYSA-N
XLogP-0.85
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.95
LogP ≤ 5-0.85
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 (3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid?
The IUPAC name of (3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid (CID 170774387) is (3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid.
What is the SMILES notation for (3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid?
The canonical SMILES for (3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid is OB(O)c1ccc2ncc(F)n2c1.
What is the InChIKey of (3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid?
The InChIKey is CLZURIKNVMXQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BFN2O2/c9-6-3-10-7-2-1-5(8(12)13)4-11(6)7/h1-4,12-13H.
What are the key properties of (3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid?
(3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid has a molecular weight of 179.95 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroimidazo[1,2-a]pyridin-6-yl)boronic acid is sourced from PubChem (CID 170774387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).