ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate

C19H19ClN2O3 — CID 67093514

IUPACethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate
SMILESCCOC(=O)COC(c1ccccn1)n1cc(C)c2cc(Cl)ccc21
InChIInChI=1S/C19H19ClN2O3/c1-3-24-18(23)12-25-19(16-6-4-5-9-21-16)22-11-13(2)15-10-14(20)7-8-17(15)22/h4-11,19H,3,12H2,1-2H3
InChIKeyCUPOCTISXJVAEL-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.12
Rot. Bonds6

About ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate

ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate (PubChem CID 67093514) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate
PubChem CID67093514
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Nameethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate
SMILESCCOC(=O)COC(c1ccccn1)n1cc(C)c2cc(Cl)ccc21
InChIInChI=1S/C19H19ClN2O3/c1-3-24-18(23)12-25-19(16-6-4-5-9-21-16)22-11-13(2)15-10-14(20)7-8-17(15)22/h4-11,19H,3,12H2,1-2H3
InChIKeyCUPOCTISXJVAEL-UHFFFAOYSA-N
XLogP4.12
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate?
The IUPAC name of ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate (CID 67093514) is ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate.
What is the SMILES notation for ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate?
The canonical SMILES for ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate is CCOC(=O)COC(c1ccccn1)n1cc(C)c2cc(Cl)ccc21.
What is the InChIKey of ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate?
The InChIKey is CUPOCTISXJVAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-3-24-18(23)12-25-19(16-6-4-5-9-21-16)22-11-13(2)15-10-14(20)7-8-17(15)22/h4-11,19H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate?
ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate has a molecular weight of 358.83 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate is sourced from PubChem (CID 67093514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).