6-chloro-2,3,7-trimethylindazole

C10H11ClN2 — CID 59514075

IUPAC6-chloro-2,3,7-trimethylindazole
SMILESCc1c(Cl)ccc2c(C)n(C)nc12
InChIInChI=1S/C10H11ClN2/c1-6-9(11)5-4-8-7(2)13(3)12-10(6)8/h4-5H,1-3H3
InChIKeyICOFCICFXKXECV-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.84
Rot. Bonds

About 6-chloro-2,3,7-trimethylindazole

6-chloro-2,3,7-trimethylindazole (PubChem CID 59514075) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 6-chloro-2,3,7-trimethylindazole.

Molecular Properties

Compound Name6-chloro-2,3,7-trimethylindazole
PubChem CID59514075
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name6-chloro-2,3,7-trimethylindazole
SMILESCc1c(Cl)ccc2c(C)n(C)nc12
InChIInChI=1S/C10H11ClN2/c1-6-9(11)5-4-8-7(2)13(3)12-10(6)8/h4-5H,1-3H3
InChIKeyICOFCICFXKXECV-UHFFFAOYSA-N
XLogP2.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3,7-trimethylindazole?
The IUPAC name of 6-chloro-2,3,7-trimethylindazole (CID 59514075) is 6-chloro-2,3,7-trimethylindazole.
What is the SMILES notation for 6-chloro-2,3,7-trimethylindazole?
The canonical SMILES for 6-chloro-2,3,7-trimethylindazole is Cc1c(Cl)ccc2c(C)n(C)nc12.
What is the InChIKey of 6-chloro-2,3,7-trimethylindazole?
The InChIKey is ICOFCICFXKXECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-6-9(11)5-4-8-7(2)13(3)12-10(6)8/h4-5H,1-3H3.
What are the key properties of 6-chloro-2,3,7-trimethylindazole?
6-chloro-2,3,7-trimethylindazole has a molecular weight of 194.66 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3,7-trimethylindazole is sourced from PubChem (CID 59514075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).