ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate

C11H11BrN2O3 — CID 117481547

IUPACethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C11H11BrN2O3/c1-2-17-11(16)9(15)6-3-4-8-7(5-6)10(12)14-13-8/h3-5,9,15H,2H2,1H3,(H,13,14)
InChIKeyWUFGDEWQCYZXLA-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.92
Rot. Bonds3

About ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate

ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate (PubChem CID 117481547) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate
PubChem CID117481547
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Nameethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C11H11BrN2O3/c1-2-17-11(16)9(15)6-3-4-8-7(5-6)10(12)14-13-8/h3-5,9,15H,2H2,1H3,(H,13,14)
InChIKeyWUFGDEWQCYZXLA-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-1H-indol-6-yl)-2-hydroxyacetate
CID 117479730
ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate
CID 117481548
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 117340177
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
ethyl 2-(3-bromo-4-propan-2-ylphenyl)-2-hydroxyacetate
CID 117485139
ethyl 2-hydroxy-2-(3-methyl-1,2-benzothiazol-6-yl)acetate
CID 117381147
ethyl 2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 69387082
ethyl 2-(3-chloro-1H-indol-5-yl)-2-hydroxyacetate
CID 117387028
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
ethyl 2-hydroxy-2-(1-methoxyisoquinolin-7-yl)acetate
CID 117406965
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate (CID 117481547) is ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1ccc2n[nH]c(Br)c2c1.
What is the InChIKey of ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate?
The InChIKey is WUFGDEWQCYZXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-2-17-11(16)9(15)6-3-4-8-7(5-6)10(12)14-13-8/h3-5,9,15H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate?
ethyl 2-(3-bromo-2H-indazol-5-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-5-yl)-2-hydroxyacetate is sourced from PubChem (CID 117481547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).