6-methoxy-1H-indazole

C8H8N2O — CID 12639202

IUPAC6-methoxy-1H-indazole
SMILESCOc1ccc2cn[nH]c2c1
InChIInChI=1S/C8H8N2O/c1-11-7-3-2-6-5-9-10-8(6)4-7/h2-5H,1H3,(H,9,10)
InChIKeyCYEQSOYROKGJDA-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.57
Rot. Bonds1

About 6-methoxy-1H-indazole

6-methoxy-1H-indazole (PubChem CID 12639202) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 6-methoxy-1H-indazole.

Molecular Properties

Compound Name6-methoxy-1H-indazole
PubChem CID12639202
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name6-methoxy-1H-indazole
SMILESCOc1ccc2cn[nH]c2c1
InChIInChI=1S/C8H8N2O/c1-11-7-3-2-6-5-9-10-8(6)4-7/h2-5H,1H3,(H,9,10)
InChIKeyCYEQSOYROKGJDA-UHFFFAOYSA-N
XLogP1.57
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1H-indazole?
The IUPAC name of 6-methoxy-1H-indazole (CID 12639202) is 6-methoxy-1H-indazole.
What is the SMILES notation for 6-methoxy-1H-indazole?
The canonical SMILES for 6-methoxy-1H-indazole is COc1ccc2cn[nH]c2c1.
What is the InChIKey of 6-methoxy-1H-indazole?
The InChIKey is CYEQSOYROKGJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-11-7-3-2-6-5-9-10-8(6)4-7/h2-5H,1H3,(H,9,10).
What are the key properties of 6-methoxy-1H-indazole?
6-methoxy-1H-indazole has a molecular weight of 148.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1H-indazole is sourced from PubChem (CID 12639202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).