5-(chloromethyl)-1H-indazole;hydrochloride

C8H8Cl2N2 — CID 72710304

IUPAC5-(chloromethyl)-1H-indazole;hydrochloride
SMILESCl.ClCc1ccc2[nH]ncc2c1
InChIInChI=1S/C8H7ClN2.ClH/c9-4-6-1-2-8-7(3-6)5-10-11-8;/h1-3,5H,4H2,(H,10,11);1H
InChIKeyWQUAZKLPWREFGN-UHFFFAOYSA-N
MW203.07 g/mol
LogP2.72
Rot. Bonds1

About 5-(chloromethyl)-1H-indazole;hydrochloride

5-(chloromethyl)-1H-indazole;hydrochloride (PubChem CID 72710304) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 5-(chloromethyl)-1H-indazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-1H-indazole;hydrochloride
PubChem CID72710304
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name5-(chloromethyl)-1H-indazole;hydrochloride
SMILESCl.ClCc1ccc2[nH]ncc2c1
InChIInChI=1S/C8H7ClN2.ClH/c9-4-6-1-2-8-7(3-6)5-10-11-8;/h1-3,5H,4H2,(H,10,11);1H
InChIKeyWQUAZKLPWREFGN-UHFFFAOYSA-N
XLogP2.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1H-indazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-1H-indazole;hydrochloride (CID 72710304) is 5-(chloromethyl)-1H-indazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-1H-indazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-1H-indazole;hydrochloride is Cl.ClCc1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(chloromethyl)-1H-indazole;hydrochloride?
The InChIKey is WQUAZKLPWREFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2.ClH/c9-4-6-1-2-8-7(3-6)5-10-11-8;/h1-3,5H,4H2,(H,10,11);1H.
What are the key properties of 5-(chloromethyl)-1H-indazole;hydrochloride?
5-(chloromethyl)-1H-indazole;hydrochloride has a molecular weight of 203.07 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1H-indazole;hydrochloride is sourced from PubChem (CID 72710304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).