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

C11H11BrN2O2 — CID 54553122

IUPACethyl 2-(5-bromo-2H-indazol-3-yl)acetate
SMILESCCOC(=O)Cc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyZLGZASHDSFWMRL-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.43
Rot. Bonds3

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

ethyl 2-(5-bromo-2H-indazol-3-yl)acetate (PubChem CID 54553122) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2H-indazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2H-indazol-3-yl)acetate
PubChem CID54553122
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Nameethyl 2-(5-bromo-2H-indazol-3-yl)acetate
SMILESCCOC(=O)Cc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyZLGZASHDSFWMRL-UHFFFAOYSA-N
XLogP2.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(5-bromo-2H-indazol-3-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

Related Compounds

ethyl 2-(2H-indazol-3-yl)acetate;2-(2H-indazol-3-yl)acetic acid
CID 158451727
ethyl 4-(2H-indazol-3-yl)-3-oxobutanoate
CID 147446393
2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine
CID 84729142
ethyl 3-(4-bromo-2-methylphenyl)propanoate
CID 124705554
5-bromo-3-(fluoromethyl)-2H-indazole
CID 84692330
ethyl 2-(2-amino-5-bromophenyl)acetate
CID 170997063
ethyl 2-[6-bromo-2-(trifluoromethyl)quinolin-3-yl]acetate
CID 177016242
ethyl 3-(7-bromo-3-chloroquinoxalin-2-yl)propanoate
CID 175048880
2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid
CID 83913593
2-(5-methoxy-2H-indazol-3-yl)acetamide
CID 76846209
3-benzyl-5-bromo-2H-indazole
CID 66915538
ethyl 6-bromo-4-oxo-3H-quinazoline-2-carboxylate
CID 135726667

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2H-indazol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-bromo-2H-indazol-3-yl)acetate (CID 54553122) is ethyl 2-(5-bromo-2H-indazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-bromo-2H-indazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-bromo-2H-indazol-3-yl)acetate is CCOC(=O)Cc1[nH]nc2ccc(Br)cc12.
What is the InChIKey of ethyl 2-(5-bromo-2H-indazol-3-yl)acetate?
The InChIKey is ZLGZASHDSFWMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of ethyl 2-(5-bromo-2H-indazol-3-yl)acetate?
ethyl 2-(5-bromo-2H-indazol-3-yl)acetate has a molecular weight of 283.12 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2H-indazol-3-yl)acetate is sourced from PubChem (CID 54553122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).