2-(5-chloro-1H-indol-3-yl)acetate

C10H7ClNO2- — CID 21122976

IUPAC2-(5-chloro-1H-indol-3-yl)acetate
SMILESO=C([O-])Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H8ClNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)/p-1
InChIKeyZEIRLSDFVXNFGG-UHFFFAOYSA-M
MW208.62 g/mol
LogP1.11
Rot. Bonds2

About 2-(5-chloro-1H-indol-3-yl)acetate

2-(5-chloro-1H-indol-3-yl)acetate (PubChem CID 21122976) has the molecular formula C10H7ClNO2- and a molecular weight of 208.62 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)acetate
PubChem CID21122976
Molecular FormulaC10H7ClNO2-
Molecular Weight208.62 g/mol
Exact Mass208.02
IUPAC Name2-(5-chloro-1H-indol-3-yl)acetate
SMILESO=C([O-])Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H8ClNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)/p-1
InChIKeyZEIRLSDFVXNFGG-UHFFFAOYSA-M
XLogP1.11
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.62
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
CID 110611810
2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide
CID 110415872
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 69068794
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)acetate?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)acetate (CID 21122976) is 2-(5-chloro-1H-indol-3-yl)acetate.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)acetate?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)acetate is O=C([O-])Cc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)acetate?
The InChIKey is ZEIRLSDFVXNFGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8ClNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)/p-1.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)acetate?
2-(5-chloro-1H-indol-3-yl)acetate has a molecular weight of 208.62 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)acetate is sourced from PubChem (CID 21122976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).