5,6-dimethoxy-1H-indazole

C9H10N2O2 — CID 19839198

IUPAC5,6-dimethoxy-1H-indazole
SMILESCOc1cc2cn[nH]c2cc1OC
InChIInChI=1S/C9H10N2O2/c1-12-8-3-6-5-10-11-7(6)4-9(8)13-2/h3-5H,1-2H3,(H,10,11)
InChIKeyHGEDPIMZZWIYDG-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.58
Rot. Bonds2

About 5,6-dimethoxy-1H-indazole

5,6-dimethoxy-1H-indazole (PubChem CID 19839198) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5,6-dimethoxy-1H-indazole.

Molecular Properties

Compound Name5,6-dimethoxy-1H-indazole
PubChem CID19839198
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5,6-dimethoxy-1H-indazole
SMILESCOc1cc2cn[nH]c2cc1OC
InChIInChI=1S/C9H10N2O2/c1-12-8-3-6-5-10-11-7(6)4-9(8)13-2/h3-5H,1-2H3,(H,10,11)
InChIKeyHGEDPIMZZWIYDG-UHFFFAOYSA-N
XLogP1.58
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1H-indazole?
The IUPAC name of 5,6-dimethoxy-1H-indazole (CID 19839198) is 5,6-dimethoxy-1H-indazole.
What is the SMILES notation for 5,6-dimethoxy-1H-indazole?
The canonical SMILES for 5,6-dimethoxy-1H-indazole is COc1cc2cn[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1H-indazole?
The InChIKey is HGEDPIMZZWIYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-12-8-3-6-5-10-11-7(6)4-9(8)13-2/h3-5H,1-2H3,(H,10,11).
What are the key properties of 5,6-dimethoxy-1H-indazole?
5,6-dimethoxy-1H-indazole has a molecular weight of 178.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1H-indazole is sourced from PubChem (CID 19839198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).