7-bromo-2-ethyl-6-methoxyindazole

C10H11BrN2O — CID 175206987

IUPAC7-bromo-2-ethyl-6-methoxyindazole
SMILESCCn1cc2ccc(OC)c(Br)c2n1
InChIInChI=1S/C10H11BrN2O/c1-3-13-6-7-4-5-8(14-2)9(11)10(7)12-13/h4-6H,3H2,1-2H3
InChIKeyBJENKSOXWYIYKH-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.83
Rot. Bonds2

About 7-bromo-2-ethyl-6-methoxyindazole

7-bromo-2-ethyl-6-methoxyindazole (PubChem CID 175206987) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 7-bromo-2-ethyl-6-methoxyindazole.

Molecular Properties

Compound Name7-bromo-2-ethyl-6-methoxyindazole
PubChem CID175206987
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name7-bromo-2-ethyl-6-methoxyindazole
SMILESCCn1cc2ccc(OC)c(Br)c2n1
InChIInChI=1S/C10H11BrN2O/c1-3-13-6-7-4-5-8(14-2)9(11)10(7)12-13/h4-6H,3H2,1-2H3
InChIKeyBJENKSOXWYIYKH-UHFFFAOYSA-N
XLogP2.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-6-methoxyindazole?
The IUPAC name of 7-bromo-2-ethyl-6-methoxyindazole (CID 175206987) is 7-bromo-2-ethyl-6-methoxyindazole.
What is the SMILES notation for 7-bromo-2-ethyl-6-methoxyindazole?
The canonical SMILES for 7-bromo-2-ethyl-6-methoxyindazole is CCn1cc2ccc(OC)c(Br)c2n1.
What is the InChIKey of 7-bromo-2-ethyl-6-methoxyindazole?
The InChIKey is BJENKSOXWYIYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-3-13-6-7-4-5-8(14-2)9(11)10(7)12-13/h4-6H,3H2,1-2H3.
What are the key properties of 7-bromo-2-ethyl-6-methoxyindazole?
7-bromo-2-ethyl-6-methoxyindazole has a molecular weight of 255.11 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-6-methoxyindazole is sourced from PubChem (CID 175206987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).