methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate

C13H16N2O2 — CID 170042823

IUPACmethyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate
SMILESCCc1ccc2c(n1)c(CC(=O)OC)cn2C
InChIInChI=1S/C13H16N2O2/c1-4-10-5-6-11-13(14-10)9(8-15(11)2)7-12(16)17-3/h5-6,8H,4,7H2,1-3H3
InChIKeyWAQACFZVDALVOA-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.85
Rot. Bonds3

About methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate

methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate (PubChem CID 170042823) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate
PubChem CID170042823
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate
SMILESCCc1ccc2c(n1)c(CC(=O)OC)cn2C
InChIInChI=1S/C13H16N2O2/c1-4-10-5-6-11-13(14-10)9(8-15(11)2)7-12(16)17-3/h5-6,8H,4,7H2,1-3H3
InChIKeyWAQACFZVDALVOA-UHFFFAOYSA-N
XLogP1.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate?
The IUPAC name of methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate (CID 170042823) is methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate?
The canonical SMILES for methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate is CCc1ccc2c(n1)c(CC(=O)OC)cn2C.
What is the InChIKey of methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate?
The InChIKey is WAQACFZVDALVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-10-5-6-11-13(14-10)9(8-15(11)2)7-12(16)17-3/h5-6,8H,4,7H2,1-3H3.
What are the key properties of methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate?
methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate has a molecular weight of 232.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate is sourced from PubChem (CID 170042823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).