methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate

C11H11BrN2O3 — CID 168932025

IUPACmethyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate
SMILESCOC(=O)Cn1ncc2ccc(Br)c(OC)c21
InChIInChI=1S/C11H11BrN2O3/c1-16-9(15)6-14-10-7(5-13-14)3-4-8(12)11(10)17-2/h3-5H,6H2,1-2H3
InChIKeyPGPMOGKSZSPWRG-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.98
Rot. Bonds3

About methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate

methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate (PubChem CID 168932025) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate
PubChem CID168932025
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Namemethyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate
SMILESCOC(=O)Cn1ncc2ccc(Br)c(OC)c21
InChIInChI=1S/C11H11BrN2O3/c1-16-9(15)6-14-10-7(5-13-14)3-4-8(12)11(10)17-2/h3-5H,6H2,1-2H3
InChIKeyPGPMOGKSZSPWRG-UHFFFAOYSA-N
XLogP1.98
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate?
The IUPAC name of methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate (CID 168932025) is methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate?
The canonical SMILES for methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate is COC(=O)Cn1ncc2ccc(Br)c(OC)c21.
What is the InChIKey of methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate?
The InChIKey is PGPMOGKSZSPWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-16-9(15)6-14-10-7(5-13-14)3-4-8(12)11(10)17-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate?
methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate has a molecular weight of 299.12 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate is sourced from PubChem (CID 168932025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).