2-amino-4-chloro-1-ethylindole-3-carboxylic acid

C11H11ClN2O2 — CID 67007243

IUPAC2-amino-4-chloro-1-ethylindole-3-carboxylic acid
SMILESCCn1c(N)c(C(=O)O)c2c(Cl)cccc21
InChIInChI=1S/C11H11ClN2O2/c1-2-14-7-5-3-4-6(12)8(7)9(10(14)13)11(15)16/h3-5H,2,13H2,1H3,(H,15,16)
InChIKeyRUVPDYLEWULUIL-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.60
Rot. Bonds2

About 2-amino-4-chloro-1-ethylindole-3-carboxylic acid

2-amino-4-chloro-1-ethylindole-3-carboxylic acid (PubChem CID 67007243) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-amino-4-chloro-1-ethylindole-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-chloro-1-ethylindole-3-carboxylic acid
PubChem CID67007243
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-amino-4-chloro-1-ethylindole-3-carboxylic acid
SMILESCCn1c(N)c(C(=O)O)c2c(Cl)cccc21
InChIInChI=1S/C11H11ClN2O2/c1-2-14-7-5-3-4-6(12)8(7)9(10(14)13)11(15)16/h3-5H,2,13H2,1H3,(H,15,16)
InChIKeyRUVPDYLEWULUIL-UHFFFAOYSA-N
XLogP2.60
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-1-ethylindole-3-carboxylic acid?
The IUPAC name of 2-amino-4-chloro-1-ethylindole-3-carboxylic acid (CID 67007243) is 2-amino-4-chloro-1-ethylindole-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-chloro-1-ethylindole-3-carboxylic acid?
The canonical SMILES for 2-amino-4-chloro-1-ethylindole-3-carboxylic acid is CCn1c(N)c(C(=O)O)c2c(Cl)cccc21.
What is the InChIKey of 2-amino-4-chloro-1-ethylindole-3-carboxylic acid?
The InChIKey is RUVPDYLEWULUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-2-14-7-5-3-4-6(12)8(7)9(10(14)13)11(15)16/h3-5H,2,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-chloro-1-ethylindole-3-carboxylic acid?
2-amino-4-chloro-1-ethylindole-3-carboxylic acid has a molecular weight of 238.67 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-1-ethylindole-3-carboxylic acid is sourced from PubChem (CID 67007243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).