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

C11H12N2O2 — CID 67218699

IUPACmethyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c2ncccc12
InChIInChI=1S/C11H12N2O2/c1-7-9(6-10(14)15-2)8-4-3-5-12-11(8)13-7/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyYNBGGUBQXVTLST-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.59
Rot. Bonds2

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

methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate (PubChem CID 67218699) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
PubChem CID67218699
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c2ncccc12
InChIInChI=1S/C11H12N2O2/c1-7-9(6-10(14)15-2)8-4-3-5-12-11(8)13-7/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyYNBGGUBQXVTLST-UHFFFAOYSA-N
XLogP1.59
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate (CID 67218699) is methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate is COC(=O)Cc1c(C)[nH]c2ncccc12.
What is the InChIKey of methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate?
The InChIKey is YNBGGUBQXVTLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-9(6-10(14)15-2)8-4-3-5-12-11(8)13-7/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate?
methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate has a molecular weight of 204.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate is sourced from PubChem (CID 67218699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).