(2-methoxy-4-pyridinyl)boronic acid;hydrochloride

C6H9BClNO3 — CID 71306177

IUPAC(2-methoxy-4-pyridinyl)boronic acid;hydrochloride
SMILESCOc1cc(B(O)O)ccn1.Cl
InChIInChI=1S/C6H8BNO3.ClH/c1-11-6-4-5(7(9)10)2-3-8-6;/h2-4,9-10H,1H3;1H
InChIKeyRSHDOVPDBWJNNM-UHFFFAOYSA-N
MW189.41 g/mol
LogP-0.81
Rot. Bonds2

About (2-methoxy-4-pyridinyl)boronic acid;hydrochloride

(2-methoxy-4-pyridinyl)boronic acid;hydrochloride (PubChem CID 71306177) has the molecular formula C6H9BClNO3 and a molecular weight of 189.41 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)boronic acid;hydrochloride.

Molecular Properties

Compound Name(2-methoxy-4-pyridinyl)boronic acid;hydrochloride
PubChem CID71306177
Molecular FormulaC6H9BClNO3
Molecular Weight189.41 g/mol
Exact Mass189.04
IUPAC Name(2-methoxy-4-pyridinyl)boronic acid;hydrochloride
SMILESCOc1cc(B(O)O)ccn1.Cl
InChIInChI=1S/C6H8BNO3.ClH/c1-11-6-4-5(7(9)10)2-3-8-6;/h2-4,9-10H,1H3;1H
InChIKeyRSHDOVPDBWJNNM-UHFFFAOYSA-N
XLogP-0.81
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.41
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-methoxy-4-pyridinyl)boronic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyridinyl)boronic acid;hydrochloride?
The IUPAC name of (2-methoxy-4-pyridinyl)boronic acid;hydrochloride (CID 71306177) is (2-methoxy-4-pyridinyl)boronic acid;hydrochloride.
What is the SMILES notation for (2-methoxy-4-pyridinyl)boronic acid;hydrochloride?
The canonical SMILES for (2-methoxy-4-pyridinyl)boronic acid;hydrochloride is COc1cc(B(O)O)ccn1.Cl.
What is the InChIKey of (2-methoxy-4-pyridinyl)boronic acid;hydrochloride?
The InChIKey is RSHDOVPDBWJNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO3.ClH/c1-11-6-4-5(7(9)10)2-3-8-6;/h2-4,9-10H,1H3;1H.
What are the key properties of (2-methoxy-4-pyridinyl)boronic acid;hydrochloride?
(2-methoxy-4-pyridinyl)boronic acid;hydrochloride has a molecular weight of 189.41 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-pyridinyl)boronic acid;hydrochloride is sourced from PubChem (CID 71306177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).