3,4-dibromo-7-methoxy-2H-indazole

C8H6Br2N2O — CID 114589251

IUPAC3,4-dibromo-7-methoxy-2H-indazole
SMILESCOc1ccc(Br)c2c(Br)[nH]nc12
InChIInChI=1S/C8H6Br2N2O/c1-13-5-3-2-4(9)6-7(5)11-12-8(6)10/h2-3H,1H3,(H,11,12)
InChIKeyJAXOXVRBDRDMCW-UHFFFAOYSA-N
MW305.96 g/mol
LogP3.10
Rot. Bonds1

About 3,4-dibromo-7-methoxy-2H-indazole

3,4-dibromo-7-methoxy-2H-indazole (PubChem CID 114589251) has the molecular formula C8H6Br2N2O and a molecular weight of 305.96 g/mol. Its IUPAC name is 3,4-dibromo-7-methoxy-2H-indazole.

Molecular Properties

Compound Name3,4-dibromo-7-methoxy-2H-indazole
PubChem CID114589251
Molecular FormulaC8H6Br2N2O
Molecular Weight305.96 g/mol
Exact Mass303.88
IUPAC Name3,4-dibromo-7-methoxy-2H-indazole
SMILESCOc1ccc(Br)c2c(Br)[nH]nc12
InChIInChI=1S/C8H6Br2N2O/c1-13-5-3-2-4(9)6-7(5)11-12-8(6)10/h2-3H,1H3,(H,11,12)
InChIKeyJAXOXVRBDRDMCW-UHFFFAOYSA-N
XLogP3.10
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.96
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-7-methoxy-2H-indazole?
The IUPAC name of 3,4-dibromo-7-methoxy-2H-indazole (CID 114589251) is 3,4-dibromo-7-methoxy-2H-indazole.
What is the SMILES notation for 3,4-dibromo-7-methoxy-2H-indazole?
The canonical SMILES for 3,4-dibromo-7-methoxy-2H-indazole is COc1ccc(Br)c2c(Br)[nH]nc12.
What is the InChIKey of 3,4-dibromo-7-methoxy-2H-indazole?
The InChIKey is JAXOXVRBDRDMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N2O/c1-13-5-3-2-4(9)6-7(5)11-12-8(6)10/h2-3H,1H3,(H,11,12).
What are the key properties of 3,4-dibromo-7-methoxy-2H-indazole?
3,4-dibromo-7-methoxy-2H-indazole has a molecular weight of 305.96 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-7-methoxy-2H-indazole is sourced from PubChem (CID 114589251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).