6-chloro-3,5-dimethyl-2H-indazole

C9H9ClN2 — CID 89021116

IUPAC6-chloro-3,5-dimethyl-2H-indazole
SMILESCc1cc2c(C)[nH]nc2cc1Cl
InChIInChI=1S/C9H9ClN2/c1-5-3-7-6(2)11-12-9(7)4-8(5)10/h3-4H,1-2H3,(H,11,12)
InChIKeyRGSYMAPENOKHAE-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.83
Rot. Bonds

About 6-chloro-3,5-dimethyl-2H-indazole

6-chloro-3,5-dimethyl-2H-indazole (PubChem CID 89021116) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 6-chloro-3,5-dimethyl-2H-indazole.

Molecular Properties

Compound Name6-chloro-3,5-dimethyl-2H-indazole
PubChem CID89021116
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name6-chloro-3,5-dimethyl-2H-indazole
SMILESCc1cc2c(C)[nH]nc2cc1Cl
InChIInChI=1S/C9H9ClN2/c1-5-3-7-6(2)11-12-9(7)4-8(5)10/h3-4H,1-2H3,(H,11,12)
InChIKeyRGSYMAPENOKHAE-UHFFFAOYSA-N
XLogP2.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,5-dimethyl-2H-indazole?
The IUPAC name of 6-chloro-3,5-dimethyl-2H-indazole (CID 89021116) is 6-chloro-3,5-dimethyl-2H-indazole.
What is the SMILES notation for 6-chloro-3,5-dimethyl-2H-indazole?
The canonical SMILES for 6-chloro-3,5-dimethyl-2H-indazole is Cc1cc2c(C)[nH]nc2cc1Cl.
What is the InChIKey of 6-chloro-3,5-dimethyl-2H-indazole?
The InChIKey is RGSYMAPENOKHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-5-3-7-6(2)11-12-9(7)4-8(5)10/h3-4H,1-2H3,(H,11,12).
What are the key properties of 6-chloro-3,5-dimethyl-2H-indazole?
6-chloro-3,5-dimethyl-2H-indazole has a molecular weight of 180.64 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,5-dimethyl-2H-indazole is sourced from PubChem (CID 89021116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).