methyl 2-(5-bromo-1-methylindazol-3-yl)acetate

C11H11BrN2O2 — CID 129278070

IUPACmethyl 2-(5-bromo-1-methylindazol-3-yl)acetate
SMILESCOC(=O)Cc1nn(C)c2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O2/c1-14-10-4-3-7(12)5-8(10)9(13-14)6-11(15)16-2/h3-5H,6H2,1-2H3
InChIKeyFTMXQUAAHROCOJ-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.05
Rot. Bonds2

About methyl 2-(5-bromo-1-methylindazol-3-yl)acetate

methyl 2-(5-bromo-1-methylindazol-3-yl)acetate (PubChem CID 129278070) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is methyl 2-(5-bromo-1-methylindazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-1-methylindazol-3-yl)acetate
PubChem CID129278070
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Namemethyl 2-(5-bromo-1-methylindazol-3-yl)acetate
SMILESCOC(=O)Cc1nn(C)c2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O2/c1-14-10-4-3-7(12)5-8(10)9(13-14)6-11(15)16-2/h3-5H,6H2,1-2H3
InChIKeyFTMXQUAAHROCOJ-UHFFFAOYSA-N
XLogP2.05
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-methylindazole-3-carboxylic acid
CID 67230358
1-(5-bromo-1-methylindazol-3-yl)ethanone
CID 82623224
5-bromo-3-(2-isocyanoethyl)-1-methylindazole
CID 83488780
methyl 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetate
CID 165461365
5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide
CID 171512307
methyl 2-[5-bromo-1-(3-hydroxypropyl)indol-3-yl]acetate
CID 83946749
2-(5-bromo-1-methylindazol-3-yl)oxy-N-butylacetamide
CID 100816479
1-(5-bromo-2-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 114894285
4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide
CID 100820914
methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate
CID 171772859
2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide
CID 100829453
methyl 5-bromo-1-ethylindazole-3-carboxylate
CID 170559421

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-1-methylindazol-3-yl)acetate?
The IUPAC name of methyl 2-(5-bromo-1-methylindazol-3-yl)acetate (CID 129278070) is methyl 2-(5-bromo-1-methylindazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-bromo-1-methylindazol-3-yl)acetate?
The canonical SMILES for methyl 2-(5-bromo-1-methylindazol-3-yl)acetate is COC(=O)Cc1nn(C)c2ccc(Br)cc12.
What is the InChIKey of methyl 2-(5-bromo-1-methylindazol-3-yl)acetate?
The InChIKey is FTMXQUAAHROCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-14-10-4-3-7(12)5-8(10)9(13-14)6-11(15)16-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(5-bromo-1-methylindazol-3-yl)acetate?
methyl 2-(5-bromo-1-methylindazol-3-yl)acetate has a molecular weight of 283.12 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-1-methylindazol-3-yl)acetate is sourced from PubChem (CID 129278070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).