ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate

C11H11BrN2O3 — CID 117481548

IUPACethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc2c(Br)[nH]nc12
InChIInChI=1S/C11H11BrN2O3/c1-2-17-11(16)9(15)6-4-3-5-7-8(6)13-14-10(7)12/h3-5,9,15H,2H2,1H3,(H,13,14)
InChIKeyGBVQQAMGZIRHPF-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.92
Rot. Bonds3

About ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate

ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate (PubChem CID 117481548) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate
PubChem CID117481548
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Nameethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc2c(Br)[nH]nc12
InChIInChI=1S/C11H11BrN2O3/c1-2-17-11(16)9(15)6-4-3-5-7-8(6)13-14-10(7)12/h3-5,9,15H,2H2,1H3,(H,13,14)
InChIKeyGBVQQAMGZIRHPF-UHFFFAOYSA-N
XLogP1.92
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-bromo-2H-indazol-7-yl)-2-oxoacetate
CID 117478350
ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate
CID 117481547
ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate
CID 117370501
ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate
CID 117313880
ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
ethyl 2-hydroxy-2-(2-pentan-3-ylphenyl)acetate
CID 117379559
ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117333177
ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
CID 117367533
ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073313
ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate
CID 22464951
2-(3-bromo-2H-indazol-7-yl)propan-2-ol
CID 84708467

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate (CID 117481548) is ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1cccc2c(Br)[nH]nc12.
What is the InChIKey of ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate?
The InChIKey is GBVQQAMGZIRHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-2-17-11(16)9(15)6-4-3-5-7-8(6)13-14-10(7)12/h3-5,9,15H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate?
ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate has a molecular weight of 299.12 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate is sourced from PubChem (CID 117481548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).