5-bromo-2-(2-methoxyethyl)indazole

C10H11BrN2O — CID 68608841

IUPAC5-bromo-2-(2-methoxyethyl)indazole
SMILESCOCCn1cc2cc(Br)ccc2n1
InChIInChI=1S/C10H11BrN2O/c1-14-5-4-13-7-8-6-9(11)2-3-10(8)12-13/h2-3,6-7H,4-5H2,1H3
InChIKeyNXIXTCGGEFDKFK-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.45
Rot. Bonds3

About 5-bromo-2-(2-methoxyethyl)indazole

5-bromo-2-(2-methoxyethyl)indazole (PubChem CID 68608841) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyethyl)indazole.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyethyl)indazole
PubChem CID68608841
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-bromo-2-(2-methoxyethyl)indazole
SMILESCOCCn1cc2cc(Br)ccc2n1
InChIInChI=1S/C10H11BrN2O/c1-14-5-4-13-7-8-6-9(11)2-3-10(8)12-13/h2-3,6-7H,4-5H2,1H3
InChIKeyNXIXTCGGEFDKFK-UHFFFAOYSA-N
XLogP2.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyethyl)indazole?
The IUPAC name of 5-bromo-2-(2-methoxyethyl)indazole (CID 68608841) is 5-bromo-2-(2-methoxyethyl)indazole.
What is the SMILES notation for 5-bromo-2-(2-methoxyethyl)indazole?
The canonical SMILES for 5-bromo-2-(2-methoxyethyl)indazole is COCCn1cc2cc(Br)ccc2n1.
What is the InChIKey of 5-bromo-2-(2-methoxyethyl)indazole?
The InChIKey is NXIXTCGGEFDKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-14-5-4-13-7-8-6-9(11)2-3-10(8)12-13/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 5-bromo-2-(2-methoxyethyl)indazole?
5-bromo-2-(2-methoxyethyl)indazole has a molecular weight of 255.11 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyethyl)indazole is sourced from PubChem (CID 68608841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).