(3-amino-1H-indazol-6-yl)boronic acid;hydrochloride

C7H9BClN3O2 — CID 139271483

IUPAC(3-amino-1H-indazol-6-yl)boronic acid;hydrochloride
SMILESCl.Nc1n[nH]c2cc(B(O)O)ccc12
InChIInChI=1S/C7H8BN3O2.ClH/c9-7-5-2-1-4(8(12)13)3-6(5)10-11-7;/h1-3,12-13H,(H3,9,10,11);1H
InChIKeyQYHOAYJSELPCNL-UHFFFAOYSA-N
MW213.43 g/mol
LogP-0.75
Rot. Bonds1

About (3-amino-1H-indazol-6-yl)boronic acid;hydrochloride

(3-amino-1H-indazol-6-yl)boronic acid;hydrochloride (PubChem CID 139271483) has the molecular formula C7H9BClN3O2 and a molecular weight of 213.43 g/mol. Its IUPAC name is (3-amino-1H-indazol-6-yl)boronic acid;hydrochloride.

Molecular Properties

Compound Name(3-amino-1H-indazol-6-yl)boronic acid;hydrochloride
PubChem CID139271483
Molecular FormulaC7H9BClN3O2
Molecular Weight213.43 g/mol
Exact Mass213.05
IUPAC Name(3-amino-1H-indazol-6-yl)boronic acid;hydrochloride
SMILESCl.Nc1n[nH]c2cc(B(O)O)ccc12
InChIInChI=1S/C7H8BN3O2.ClH/c9-7-5-2-1-4(8(12)13)3-6(5)10-11-7;/h1-3,12-13H,(H3,9,10,11);1H
InChIKeyQYHOAYJSELPCNL-UHFFFAOYSA-N
XLogP-0.75
TPSA95.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.43
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
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-amino-1H-indazol-6-yl)boronic acid;hydrochloride?
The IUPAC name of (3-amino-1H-indazol-6-yl)boronic acid;hydrochloride (CID 139271483) is (3-amino-1H-indazol-6-yl)boronic acid;hydrochloride.
What is the SMILES notation for (3-amino-1H-indazol-6-yl)boronic acid;hydrochloride?
The canonical SMILES for (3-amino-1H-indazol-6-yl)boronic acid;hydrochloride is Cl.Nc1n[nH]c2cc(B(O)O)ccc12.
What is the InChIKey of (3-amino-1H-indazol-6-yl)boronic acid;hydrochloride?
The InChIKey is QYHOAYJSELPCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BN3O2.ClH/c9-7-5-2-1-4(8(12)13)3-6(5)10-11-7;/h1-3,12-13H,(H3,9,10,11);1H.
What are the key properties of (3-amino-1H-indazol-6-yl)boronic acid;hydrochloride?
(3-amino-1H-indazol-6-yl)boronic acid;hydrochloride has a molecular weight of 213.43 g/mol, XLogP of -0.75, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-indazol-6-yl)boronic acid;hydrochloride is sourced from PubChem (CID 139271483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).