methyl 2-(4-bromoindazol-2-yl)acetate

C10H9BrN2O2 — CID 131383868

IUPACmethyl 2-(4-bromoindazol-2-yl)acetate
SMILESCOC(=O)Cn1cc2c(Br)cccc2n1
InChIInChI=1S/C10H9BrN2O2/c1-15-10(14)6-13-5-7-8(11)3-2-4-9(7)12-13/h2-5H,6H2,1H3
InChIKeyKZFRVNISFYWELG-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.97
Rot. Bonds2

About methyl 2-(4-bromoindazol-2-yl)acetate

methyl 2-(4-bromoindazol-2-yl)acetate (PubChem CID 131383868) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is methyl 2-(4-bromoindazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromoindazol-2-yl)acetate
PubChem CID131383868
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Namemethyl 2-(4-bromoindazol-2-yl)acetate
SMILESCOC(=O)Cn1cc2c(Br)cccc2n1
InChIInChI=1S/C10H9BrN2O2/c1-15-10(14)6-13-5-7-8(11)3-2-4-9(7)12-13/h2-5H,6H2,1H3
InChIKeyKZFRVNISFYWELG-UHFFFAOYSA-N
XLogP1.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoindazol-2-yl)-1-cyclohexylethanone
CID 171533832
methyl 2-(4-bromo-3-nitropyrazol-1-yl)acetate
CID 61176234
methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate
CID 82561325
4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole
CID 171534158
methyl 2-benzylindazole-4-carboxylate
CID 90133630
methyl 2-(7-bromo-2,3-dioxoindol-1-yl)acetate
CID 61355610
methyl 2-(3-bromo-2-methoxyphenoxy)acetate
CID 54183204
methyl 7-bromo-1-ethylindazole-3-carboxylate
CID 137376343
methyl 2-[4-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)-3-methylpyrazol-1-yl]acetate
CID 59620049
methyl 2-(5,6-dimethyl-4,7-dioxoindazol-2-yl)acetate
CID 11096935
methyl 4-(4-bromoindol-1-yl)butanoate
CID 115351462
methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate
CID 168932025

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromoindazol-2-yl)acetate?
The IUPAC name of methyl 2-(4-bromoindazol-2-yl)acetate (CID 131383868) is methyl 2-(4-bromoindazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-bromoindazol-2-yl)acetate?
The canonical SMILES for methyl 2-(4-bromoindazol-2-yl)acetate is COC(=O)Cn1cc2c(Br)cccc2n1.
What is the InChIKey of methyl 2-(4-bromoindazol-2-yl)acetate?
The InChIKey is KZFRVNISFYWELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-15-10(14)6-13-5-7-8(11)3-2-4-9(7)12-13/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(4-bromoindazol-2-yl)acetate?
methyl 2-(4-bromoindazol-2-yl)acetate has a molecular weight of 269.10 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromoindazol-2-yl)acetate is sourced from PubChem (CID 131383868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).