1-chloro-3-(chloromethyl)indazole

C8H6Cl2N2 — CID 174819802

IUPAC1-chloro-3-(chloromethyl)indazole
SMILESClCc1nn(Cl)c2ccccc12
InChIInChI=1S/C8H6Cl2N2/c9-5-7-6-3-1-2-4-8(6)12(10)11-7/h1-4H,5H2
InChIKeyWUKKKECMHSLNJH-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.78
Rot. Bonds1

About 1-chloro-3-(chloromethyl)indazole

1-chloro-3-(chloromethyl)indazole (PubChem CID 174819802) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 1-chloro-3-(chloromethyl)indazole.

Molecular Properties

Compound Name1-chloro-3-(chloromethyl)indazole
PubChem CID174819802
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name1-chloro-3-(chloromethyl)indazole
SMILESClCc1nn(Cl)c2ccccc12
InChIInChI=1S/C8H6Cl2N2/c9-5-7-6-3-1-2-4-8(6)12(10)11-7/h1-4H,5H2
InChIKeyWUKKKECMHSLNJH-UHFFFAOYSA-N
XLogP2.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-3-(chloromethyl)indazole with MolForge

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

Launch Full Analysis

Related Compounds

3-(chloromethyl)-1-pyrimidin-2-ylindazole
CID 89060434
3-(chloromethyl)-1-(4-chlorophenyl)indazole
CID 69193240
4-(chloromethyl)-5-(1-methylindazol-3-yl)-1,3-oxazole
CID 103123679
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
2-(1-methylindazol-3-yl)acetamide
CID 67465474
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole
CID 79800388
1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine
CID 112552822
[1-(4-chlorophenyl)indazol-3-yl]methanol
CID 69192463
3-ethyl-1-(propoxymethyl)indazole
CID 70846953
3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole
CID 79433711
2-benzyl-6-chloro-4-(chloromethyl)phthalazin-1-one
CID 59777229

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(chloromethyl)indazole?
The IUPAC name of 1-chloro-3-(chloromethyl)indazole (CID 174819802) is 1-chloro-3-(chloromethyl)indazole.
What is the SMILES notation for 1-chloro-3-(chloromethyl)indazole?
The canonical SMILES for 1-chloro-3-(chloromethyl)indazole is ClCc1nn(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-3-(chloromethyl)indazole?
The InChIKey is WUKKKECMHSLNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c9-5-7-6-3-1-2-4-8(6)12(10)11-7/h1-4H,5H2.
What are the key properties of 1-chloro-3-(chloromethyl)indazole?
1-chloro-3-(chloromethyl)indazole has a molecular weight of 201.06 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(chloromethyl)indazole is sourced from PubChem (CID 174819802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).