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

C5H8BClN2O2 — CID 73012140

IUPAC(2-amino-4-pyridinyl)boronic acid;hydrochloride
SMILESCl.Nc1cc(B(O)O)ccn1
InChIInChI=1S/C5H7BN2O2.ClH/c7-5-3-4(6(9)10)1-2-8-5;/h1-3,9-10H,(H2,7,8);1H
InChIKeyCKMKCIASYYNDKG-UHFFFAOYSA-N
MW174.40 g/mol
LogP-1.23
Rot. Bonds1

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

(2-amino-4-pyridinyl)boronic acid;hydrochloride (PubChem CID 73012140) has the molecular formula C5H8BClN2O2 and a molecular weight of 174.40 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)boronic acid;hydrochloride.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)boronic acid;hydrochloride
PubChem CID73012140
Molecular FormulaC5H8BClN2O2
Molecular Weight174.40 g/mol
Exact Mass174.04
IUPAC Name(2-amino-4-pyridinyl)boronic acid;hydrochloride
SMILESCl.Nc1cc(B(O)O)ccn1
InChIInChI=1S/C5H7BN2O2.ClH/c7-5-3-4(6(9)10)1-2-8-5;/h1-3,9-10H,(H2,7,8);1H
InChIKeyCKMKCIASYYNDKG-UHFFFAOYSA-N
XLogP-1.23
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.40
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-amino-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-amino-4-pyridinyl)boronic acid;hydrochloride?
The IUPAC name of (2-amino-4-pyridinyl)boronic acid;hydrochloride (CID 73012140) is (2-amino-4-pyridinyl)boronic acid;hydrochloride.
What is the SMILES notation for (2-amino-4-pyridinyl)boronic acid;hydrochloride?
The canonical SMILES for (2-amino-4-pyridinyl)boronic acid;hydrochloride is Cl.Nc1cc(B(O)O)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)boronic acid;hydrochloride?
The InChIKey is CKMKCIASYYNDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BN2O2.ClH/c7-5-3-4(6(9)10)1-2-8-5;/h1-3,9-10H,(H2,7,8);1H.
What are the key properties of (2-amino-4-pyridinyl)boronic acid;hydrochloride?
(2-amino-4-pyridinyl)boronic acid;hydrochloride has a molecular weight of 174.40 g/mol, XLogP of -1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)boronic acid;hydrochloride is sourced from PubChem (CID 73012140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).