methyl 2-(6-bromo-1H-indol-3-yl)acetate

C11H10BrNO2 — CID 11644701

IUPACmethyl 2-(6-bromo-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H10BrNO2/c1-15-11(14)4-7-6-13-10-5-8(12)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3
InChIKeyBMFSVEXJEHZDHD-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.65
Rot. Bonds2

About methyl 2-(6-bromo-1H-indol-3-yl)acetate

methyl 2-(6-bromo-1H-indol-3-yl)acetate (PubChem CID 11644701) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is methyl 2-(6-bromo-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-bromo-1H-indol-3-yl)acetate
PubChem CID11644701
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Namemethyl 2-(6-bromo-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H10BrNO2/c1-15-11(14)4-7-6-13-10-5-8(12)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3
InChIKeyBMFSVEXJEHZDHD-UHFFFAOYSA-N
XLogP2.65
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromo-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(6-bromo-1H-indol-3-yl)acetate (CID 11644701) is methyl 2-(6-bromo-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-bromo-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(6-bromo-1H-indol-3-yl)acetate is COC(=O)Cc1c[nH]c2cc(Br)ccc12.
What is the InChIKey of methyl 2-(6-bromo-1H-indol-3-yl)acetate?
The InChIKey is BMFSVEXJEHZDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-15-11(14)4-7-6-13-10-5-8(12)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3.
What are the key properties of methyl 2-(6-bromo-1H-indol-3-yl)acetate?
methyl 2-(6-bromo-1H-indol-3-yl)acetate has a molecular weight of 268.11 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromo-1H-indol-3-yl)acetate is sourced from PubChem (CID 11644701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).