methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate

C12H14N2O3 — CID 121003127

IUPACmethyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate
SMILESCOC(=O)CCc1c[nH]c2ccc(OC)nc12
InChIInChI=1S/C12H14N2O3/c1-16-10-5-4-9-12(14-10)8(7-13-9)3-6-11(15)17-2/h4-5,7,13H,3,6H2,1-2H3
InChIKeyMKKQKOLYRGFDSS-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.68
Rot. Bonds4

About methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate

methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate (PubChem CID 121003127) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate
PubChem CID121003127
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate
SMILESCOC(=O)CCc1c[nH]c2ccc(OC)nc12
InChIInChI=1S/C12H14N2O3/c1-16-10-5-4-9-12(14-10)8(7-13-9)3-6-11(15)17-2/h4-5,7,13H,3,6H2,1-2H3
InChIKeyMKKQKOLYRGFDSS-UHFFFAOYSA-N
XLogP1.68
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate?
The IUPAC name of methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate (CID 121003127) is methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate.
What is the SMILES notation for methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate?
The canonical SMILES for methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate is COC(=O)CCc1c[nH]c2ccc(OC)nc12.
What is the InChIKey of methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate?
The InChIKey is MKKQKOLYRGFDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-16-10-5-4-9-12(14-10)8(7-13-9)3-6-11(15)17-2/h4-5,7,13H,3,6H2,1-2H3.
What are the key properties of methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate?
methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate has a molecular weight of 234.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate is sourced from PubChem (CID 121003127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).