5-chloro-1,6-dimethylindazole

C9H9ClN2 — CID 84657674

IUPAC5-chloro-1,6-dimethylindazole
SMILESCc1cc2c(cnn2C)cc1Cl
InChIInChI=1S/C9H9ClN2/c1-6-3-9-7(4-8(6)10)5-11-12(9)2/h3-5H,1-2H3
InChIKeyJNXKCYSYZXYCIB-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.54
Rot. Bonds

About 5-chloro-1,6-dimethylindazole

5-chloro-1,6-dimethylindazole (PubChem CID 84657674) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 5-chloro-1,6-dimethylindazole.

Molecular Properties

Compound Name5-chloro-1,6-dimethylindazole
PubChem CID84657674
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name5-chloro-1,6-dimethylindazole
SMILESCc1cc2c(cnn2C)cc1Cl
InChIInChI=1S/C9H9ClN2/c1-6-3-9-7(4-8(6)10)5-11-12(9)2/h3-5H,1-2H3
InChIKeyJNXKCYSYZXYCIB-UHFFFAOYSA-N
XLogP2.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-dimethyl-5-propan-2-ylindazole
CID 58371579
5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole
CID 46935408
1,5-dimethylindazol-6-ol
CID 137082746
6-ethyl-1,5-dimethylindazole
CID 176934565
1,6-dimethylindazole-5-carbonitrile;ethane
CID 178139886
5,6-difluoro-1-methylindazole
CID 159529872
1,5-dimethyl-6-(trifluoromethyl)indazole
CID 147922092
1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine
CID 170228522
1,5-dimethylindazole;ethane
CID 90788862
N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-5-amine
CID 59514230
5-chloro-1,7-dimethylindazole
CID 121266447
5-(6-chloro-5-methyl-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole
CID 167835927

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,6-dimethylindazole?
The IUPAC name of 5-chloro-1,6-dimethylindazole (CID 84657674) is 5-chloro-1,6-dimethylindazole.
What is the SMILES notation for 5-chloro-1,6-dimethylindazole?
The canonical SMILES for 5-chloro-1,6-dimethylindazole is Cc1cc2c(cnn2C)cc1Cl.
What is the InChIKey of 5-chloro-1,6-dimethylindazole?
The InChIKey is JNXKCYSYZXYCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-6-3-9-7(4-8(6)10)5-11-12(9)2/h3-5H,1-2H3.
What are the key properties of 5-chloro-1,6-dimethylindazole?
5-chloro-1,6-dimethylindazole has a molecular weight of 180.64 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,6-dimethylindazole is sourced from PubChem (CID 84657674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).