(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid

C8H8BClN2O2 — CID 166000239

IUPAC(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid
SMILESCc1cn2cc(B(O)O)cc(Cl)c2n1
InChIInChI=1S/C8H8BClN2O2/c1-5-3-12-4-6(9(13)14)2-7(10)8(12)11-5/h2-4,13-14H,1H3
InChIKeyPGQGUFPQADMWNJ-UHFFFAOYSA-N
MW210.43 g/mol
LogP-0.02
Rot. Bonds1

About (8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid

(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid (PubChem CID 166000239) has the molecular formula C8H8BClN2O2 and a molecular weight of 210.43 g/mol. Its IUPAC name is (8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid.

Molecular Properties

Compound Name(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid
PubChem CID166000239
Molecular FormulaC8H8BClN2O2
Molecular Weight210.43 g/mol
Exact Mass210.04
IUPAC Name(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid
SMILESCc1cn2cc(B(O)O)cc(Cl)c2n1
InChIInChI=1S/C8H8BClN2O2/c1-5-3-12-4-6(9(13)14)2-7(10)8(12)11-5/h2-4,13-14H,1H3
InChIKeyPGQGUFPQADMWNJ-UHFFFAOYSA-N
XLogP-0.02
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.43
LogP ≤ 5-0.02
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 (8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid?
The IUPAC name of (8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid (CID 166000239) is (8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid.
What is the SMILES notation for (8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid?
The canonical SMILES for (8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid is Cc1cn2cc(B(O)O)cc(Cl)c2n1.
What is the InChIKey of (8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid?
The InChIKey is PGQGUFPQADMWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BClN2O2/c1-5-3-12-4-6(9(13)14)2-7(10)8(12)11-5/h2-4,13-14H,1H3.
What are the key properties of (8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid?
(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid has a molecular weight of 210.43 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid is sourced from PubChem (CID 166000239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).