ethyl 2-amino-6-chloro-1H-indole-3-carboxylate

C11H11ClN2O2 — CID 68829777

IUPACethyl 2-amino-6-chloro-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(N)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C11H11ClN2O2/c1-2-16-11(15)9-7-4-3-6(12)5-8(7)14-10(9)13/h3-5,14H,2,13H2,1H3
InChIKeyIDEBTCGEXWOMHN-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.58
Rot. Bonds2

About ethyl 2-amino-6-chloro-1H-indole-3-carboxylate

ethyl 2-amino-6-chloro-1H-indole-3-carboxylate (PubChem CID 68829777) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is ethyl 2-amino-6-chloro-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-chloro-1H-indole-3-carboxylate
PubChem CID68829777
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Nameethyl 2-amino-6-chloro-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(N)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C11H11ClN2O2/c1-2-16-11(15)9-7-4-3-6(12)5-8(7)14-10(9)13/h3-5,14H,2,13H2,1H3
InChIKeyIDEBTCGEXWOMHN-UHFFFAOYSA-N
XLogP2.58
TPSA68.11 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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-chloro-1H-indole-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-chloro-1H-indole-3-carboxylate (CID 68829777) is ethyl 2-amino-6-chloro-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-chloro-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-chloro-1H-indole-3-carboxylate is CCOC(=O)c1c(N)[nH]c2cc(Cl)ccc12.
What is the InChIKey of ethyl 2-amino-6-chloro-1H-indole-3-carboxylate?
The InChIKey is IDEBTCGEXWOMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-2-16-11(15)9-7-4-3-6(12)5-8(7)14-10(9)13/h3-5,14H,2,13H2,1H3.
What are the key properties of ethyl 2-amino-6-chloro-1H-indole-3-carboxylate?
ethyl 2-amino-6-chloro-1H-indole-3-carboxylate has a molecular weight of 238.67 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-chloro-1H-indole-3-carboxylate is sourced from PubChem (CID 68829777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).