4-bromo-5-methoxy-1H-indazole

C8H7BrN2O — CID 46941913

IUPAC4-bromo-5-methoxy-1H-indazole
SMILESCOc1ccc2[nH]ncc2c1Br
InChIInChI=1S/C8H7BrN2O/c1-12-7-3-2-6-5(8(7)9)4-10-11-6/h2-4H,1H3,(H,10,11)
InChIKeyOJJMTCWSLYKVEH-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.33
Rot. Bonds1

About 4-bromo-5-methoxy-1H-indazole

4-bromo-5-methoxy-1H-indazole (PubChem CID 46941913) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 4-bromo-5-methoxy-1H-indazole.

Molecular Properties

Compound Name4-bromo-5-methoxy-1H-indazole
PubChem CID46941913
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name4-bromo-5-methoxy-1H-indazole
SMILESCOc1ccc2[nH]ncc2c1Br
InChIInChI=1S/C8H7BrN2O/c1-12-7-3-2-6-5(8(7)9)4-10-11-6/h2-4H,1H3,(H,10,11)
InChIKeyOJJMTCWSLYKVEH-UHFFFAOYSA-N
XLogP2.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-1H-indazole?
The IUPAC name of 4-bromo-5-methoxy-1H-indazole (CID 46941913) is 4-bromo-5-methoxy-1H-indazole.
What is the SMILES notation for 4-bromo-5-methoxy-1H-indazole?
The canonical SMILES for 4-bromo-5-methoxy-1H-indazole is COc1ccc2[nH]ncc2c1Br.
What is the InChIKey of 4-bromo-5-methoxy-1H-indazole?
The InChIKey is OJJMTCWSLYKVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-12-7-3-2-6-5(8(7)9)4-10-11-6/h2-4H,1H3,(H,10,11).
What are the key properties of 4-bromo-5-methoxy-1H-indazole?
4-bromo-5-methoxy-1H-indazole has a molecular weight of 227.06 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-1H-indazole is sourced from PubChem (CID 46941913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).