6-bromo-7-methoxy-1-(2-methoxyethyl)indazole

C11H13BrN2O2 — CID 168931985

IUPAC6-bromo-7-methoxy-1-(2-methoxyethyl)indazole
SMILESCOCCn1ncc2ccc(Br)c(OC)c21
InChIInChI=1S/C11H13BrN2O2/c1-15-6-5-14-10-8(7-13-14)3-4-9(12)11(10)16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyGACLIJFLAHSJOA-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.45
Rot. Bonds4

About 6-bromo-7-methoxy-1-(2-methoxyethyl)indazole

6-bromo-7-methoxy-1-(2-methoxyethyl)indazole (PubChem CID 168931985) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 6-bromo-7-methoxy-1-(2-methoxyethyl)indazole.

Molecular Properties

Compound Name6-bromo-7-methoxy-1-(2-methoxyethyl)indazole
PubChem CID168931985
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name6-bromo-7-methoxy-1-(2-methoxyethyl)indazole
SMILESCOCCn1ncc2ccc(Br)c(OC)c21
InChIInChI=1S/C11H13BrN2O2/c1-15-6-5-14-10-8(7-13-14)3-4-9(12)11(10)16-2/h3-4,7H,5-6H2,1-2H3
InChIKeyGACLIJFLAHSJOA-UHFFFAOYSA-N
XLogP2.45
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-1-(2-methoxyethyl)indazole?
The IUPAC name of 6-bromo-7-methoxy-1-(2-methoxyethyl)indazole (CID 168931985) is 6-bromo-7-methoxy-1-(2-methoxyethyl)indazole.
What is the SMILES notation for 6-bromo-7-methoxy-1-(2-methoxyethyl)indazole?
The canonical SMILES for 6-bromo-7-methoxy-1-(2-methoxyethyl)indazole is COCCn1ncc2ccc(Br)c(OC)c21.
What is the InChIKey of 6-bromo-7-methoxy-1-(2-methoxyethyl)indazole?
The InChIKey is GACLIJFLAHSJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-15-6-5-14-10-8(7-13-14)3-4-9(12)11(10)16-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 6-bromo-7-methoxy-1-(2-methoxyethyl)indazole?
6-bromo-7-methoxy-1-(2-methoxyethyl)indazole has a molecular weight of 285.14 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-1-(2-methoxyethyl)indazole is sourced from PubChem (CID 168931985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).