3-chloro-2,4-dimethylindazole

C9H9ClN2 — CID 84718438

IUPAC3-chloro-2,4-dimethylindazole
SMILESCc1cccc2nn(C)c(Cl)c12
InChIInChI=1S/C9H9ClN2/c1-6-4-3-5-7-8(6)9(10)12(2)11-7/h3-5H,1-2H3
InChIKeyVSLYKWCWMKODAN-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.54
Rot. Bonds

About 3-chloro-2,4-dimethylindazole

3-chloro-2,4-dimethylindazole (PubChem CID 84718438) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 3-chloro-2,4-dimethylindazole.

Molecular Properties

Compound Name3-chloro-2,4-dimethylindazole
PubChem CID84718438
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name3-chloro-2,4-dimethylindazole
SMILESCc1cccc2nn(C)c(Cl)c12
InChIInChI=1S/C9H9ClN2/c1-6-4-3-5-7-8(6)9(10)12(2)11-7/h3-5H,1-2H3
InChIKeyVSLYKWCWMKODAN-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-dimethylindazole?
The IUPAC name of 3-chloro-2,4-dimethylindazole (CID 84718438) is 3-chloro-2,4-dimethylindazole.
What is the SMILES notation for 3-chloro-2,4-dimethylindazole?
The canonical SMILES for 3-chloro-2,4-dimethylindazole is Cc1cccc2nn(C)c(Cl)c12.
What is the InChIKey of 3-chloro-2,4-dimethylindazole?
The InChIKey is VSLYKWCWMKODAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-6-4-3-5-7-8(6)9(10)12(2)11-7/h3-5H,1-2H3.
What are the key properties of 3-chloro-2,4-dimethylindazole?
3-chloro-2,4-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 3-chloro-2,4-dimethylindazole is sourced from PubChem (CID 84718438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).