1H-indazol-4-ylboronic acid;hydrochloride

C7H8BClN2O2 — CID 46738007

IUPAC1H-indazol-4-ylboronic acid;hydrochloride
SMILESCl.OB(O)c1cccc2[nH]ncc12
InChIInChI=1S/C7H7BN2O2.ClH/c11-8(12)6-2-1-3-7-5(6)4-9-10-7;/h1-4,11-12H,(H,9,10);1H
InChIKeyPAILGUQNESDYLX-UHFFFAOYSA-N
MW198.42 g/mol
LogP-0.34
Rot. Bonds1

About 1H-indazol-4-ylboronic acid;hydrochloride

1H-indazol-4-ylboronic acid;hydrochloride (PubChem CID 46738007) has the molecular formula C7H8BClN2O2 and a molecular weight of 198.42 g/mol. Its IUPAC name is 1H-indazol-4-ylboronic acid;hydrochloride.

Molecular Properties

Compound Name1H-indazol-4-ylboronic acid;hydrochloride
PubChem CID46738007
Molecular FormulaC7H8BClN2O2
Molecular Weight198.42 g/mol
Exact Mass198.04
IUPAC Name1H-indazol-4-ylboronic acid;hydrochloride
SMILESCl.OB(O)c1cccc2[nH]ncc12
InChIInChI=1S/C7H7BN2O2.ClH/c11-8(12)6-2-1-3-7-5(6)4-9-10-7;/h1-4,11-12H,(H,9,10);1H
InChIKeyPAILGUQNESDYLX-UHFFFAOYSA-N
XLogP-0.34
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.42
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-indazol-4-amine;dihydrochloride
CID 18779330
CID 174665708
CID 174665708
4-piperazin-1-yl-1H-indazole;hydrochloride
CID 131699602
potassium trifluoro(1H-indazol-4-yl)boranuide
CID 121229109
4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 167756321
1-(1H-indazol-4-yl)ethanethiol
CID 135200375
(5-fluoro-1H-indazol-4-yl)boronic acid
CID 131582484
sodium;4-chloro-1H-indazole;hydride
CID 175559887
sodium;hydride;1H-indazole-4-thiol
CID 175160320
1H-indazol-4-amine;2-methylpropanoic acid
CID 159051220
[2-ethoxy-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid
CID 166610816
N-(1H-indazol-4-yl)propanamide
CID 61035756

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-ylboronic acid;hydrochloride?
The IUPAC name of 1H-indazol-4-ylboronic acid;hydrochloride (CID 46738007) is 1H-indazol-4-ylboronic acid;hydrochloride.
What is the SMILES notation for 1H-indazol-4-ylboronic acid;hydrochloride?
The canonical SMILES for 1H-indazol-4-ylboronic acid;hydrochloride is Cl.OB(O)c1cccc2[nH]ncc12.
What is the InChIKey of 1H-indazol-4-ylboronic acid;hydrochloride?
The InChIKey is PAILGUQNESDYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BN2O2.ClH/c11-8(12)6-2-1-3-7-5(6)4-9-10-7;/h1-4,11-12H,(H,9,10);1H.
What are the key properties of 1H-indazol-4-ylboronic acid;hydrochloride?
1H-indazol-4-ylboronic acid;hydrochloride has a molecular weight of 198.42 g/mol, XLogP of -0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-ylboronic acid;hydrochloride is sourced from PubChem (CID 46738007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).