methyl 2-(3-chloroindol-1-yl)acetate

C11H10ClNO2 — CID 62805557

IUPACmethyl 2-(3-chloroindol-1-yl)acetate
SMILESCOC(=O)Cn1cc(Cl)c2ccccc21
InChIInChI=1S/C11H10ClNO2/c1-15-11(14)7-13-6-9(12)8-4-2-3-5-10(8)13/h2-6H,7H2,1H3
InChIKeyQDRHZLLFCHZGTO-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.47
Rot. Bonds2

About methyl 2-(3-chloroindol-1-yl)acetate

methyl 2-(3-chloroindol-1-yl)acetate (PubChem CID 62805557) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is methyl 2-(3-chloroindol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloroindol-1-yl)acetate
PubChem CID62805557
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Namemethyl 2-(3-chloroindol-1-yl)acetate
SMILESCOC(=O)Cn1cc(Cl)c2ccccc21
InChIInChI=1S/C11H10ClNO2/c1-15-11(14)7-13-6-9(12)8-4-2-3-5-10(8)13/h2-6H,7H2,1H3
InChIKeyQDRHZLLFCHZGTO-UHFFFAOYSA-N
XLogP2.47
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloroindol-1-yl)acetate?
The IUPAC name of methyl 2-(3-chloroindol-1-yl)acetate (CID 62805557) is methyl 2-(3-chloroindol-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-chloroindol-1-yl)acetate?
The canonical SMILES for methyl 2-(3-chloroindol-1-yl)acetate is COC(=O)Cn1cc(Cl)c2ccccc21.
What is the InChIKey of methyl 2-(3-chloroindol-1-yl)acetate?
The InChIKey is QDRHZLLFCHZGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-15-11(14)7-13-6-9(12)8-4-2-3-5-10(8)13/h2-6H,7H2,1H3.
What are the key properties of methyl 2-(3-chloroindol-1-yl)acetate?
methyl 2-(3-chloroindol-1-yl)acetate has a molecular weight of 223.66 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloroindol-1-yl)acetate is sourced from PubChem (CID 62805557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).