methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate

C10H10N2O2 — CID 86767752

IUPACmethyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate
SMILESCOC(=O)Cc1ccc2cc[nH]c2n1
InChIInChI=1S/C10H10N2O2/c1-14-9(13)6-8-3-2-7-4-5-11-10(7)12-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyVOUYCEWUOZESLW-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.28
Rot. Bonds2

About methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate

methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate (PubChem CID 86767752) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate
PubChem CID86767752
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate
SMILESCOC(=O)Cc1ccc2cc[nH]c2n1
InChIInChI=1S/C10H10N2O2/c1-14-9(13)6-8-3-2-7-4-5-11-10(7)12-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyVOUYCEWUOZESLW-UHFFFAOYSA-N
XLogP1.28
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate?
The IUPAC name of methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate (CID 86767752) is methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate.
What is the SMILES notation for methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate?
The canonical SMILES for methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate is COC(=O)Cc1ccc2cc[nH]c2n1.
What is the InChIKey of methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate?
The InChIKey is VOUYCEWUOZESLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-9(13)6-8-3-2-7-4-5-11-10(7)12-8/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate?
methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate has a molecular weight of 190.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-pyrrolo[2,3-b]pyridin-6-yl)acetate is sourced from PubChem (CID 86767752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).