methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate

C11H9Cl2NO2 — CID 70404350

IUPACmethyl 2-(2,5-dichloro-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c(Cl)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H9Cl2NO2/c1-16-10(15)5-8-7-4-6(12)2-3-9(7)14-11(8)13/h2-4,14H,5H2,1H3
InChIKeyPPEFMSBGURPRPD-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.19
Rot. Bonds2

About methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate

methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate (PubChem CID 70404350) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dichloro-1H-indol-3-yl)acetate
PubChem CID70404350
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Namemethyl 2-(2,5-dichloro-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c(Cl)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H9Cl2NO2/c1-16-10(15)5-8-7-4-6(12)2-3-9(7)14-11(8)13/h2-4,14H,5H2,1H3
InChIKeyPPEFMSBGURPRPD-UHFFFAOYSA-N
XLogP3.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[5-chloro-2-[4-(hydroxymethyl)pyridine-2-carbonyl]-1H-indol-3-yl]acetate
CID 23003296
methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
CID 23003395
methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate
CID 69471701
methyl 4-[[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212048
methyl 2-[6-chloro-2-(4-chloro-3-fluorobenzoyl)-1H-indol-3-yl]acetate
CID 23003541
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 113212020
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
(3,6-dichloro-2-oxo-1H-quinolin-4-yl)methyl acetate
CID 121013645
2-[5-chloro-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3275365
5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 15995628
methyl 2-(2-bromo-1H-indol-3-yl)acetate
CID 27281283
methyl 2-[6-chloro-2-[4-(trifluoromethoxy)benzoyl]-1H-indol-3-yl]acetate
CID 23003215

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate (CID 70404350) is methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate is COC(=O)Cc1c(Cl)[nH]c2ccc(Cl)cc12.
What is the InChIKey of methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate?
The InChIKey is PPEFMSBGURPRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c1-16-10(15)5-8-7-4-6(12)2-3-9(7)14-11(8)13/h2-4,14H,5H2,1H3.
What are the key properties of methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate?
methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate has a molecular weight of 258.10 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate is sourced from PubChem (CID 70404350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).