(2-chloroquinolin-3-yl)boronic acid

C9H7BClNO2 — CID 4198643

IUPAC(2-chloroquinolin-3-yl)boronic acid
SMILESOB(O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H
InChIKeyJAQXYUOPSOXQCG-UHFFFAOYSA-N
MW207.43 g/mol
LogP0.57
Rot. Bonds1

About (2-chloroquinolin-3-yl)boronic acid

(2-chloroquinolin-3-yl)boronic acid (PubChem CID 4198643) has the molecular formula C9H7BClNO2 and a molecular weight of 207.43 g/mol. Its IUPAC name is (2-chloroquinolin-3-yl)boronic acid.

Molecular Properties

Compound Name(2-chloroquinolin-3-yl)boronic acid
PubChem CID4198643
Molecular FormulaC9H7BClNO2
Molecular Weight207.43 g/mol
Exact Mass207.03
IUPAC Name(2-chloroquinolin-3-yl)boronic acid
SMILESOB(O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H
InChIKeyJAQXYUOPSOXQCG-UHFFFAOYSA-N
XLogP0.57
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.43
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-3-yl)boronic acid?
The IUPAC name of (2-chloroquinolin-3-yl)boronic acid (CID 4198643) is (2-chloroquinolin-3-yl)boronic acid.
What is the SMILES notation for (2-chloroquinolin-3-yl)boronic acid?
The canonical SMILES for (2-chloroquinolin-3-yl)boronic acid is OB(O)c1cc2ccccc2nc1Cl.
What is the InChIKey of (2-chloroquinolin-3-yl)boronic acid?
The InChIKey is JAQXYUOPSOXQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H.
What are the key properties of (2-chloroquinolin-3-yl)boronic acid?
(2-chloroquinolin-3-yl)boronic acid has a molecular weight of 207.43 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-3-yl)boronic acid is sourced from PubChem (CID 4198643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).