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

C11H12N2O2 — CID 69181166

IUPACmethyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c2ccncc12
InChIInChI=1S/C11H12N2O2/c1-7-8(5-11(14)15-2)9-6-12-4-3-10(9)13-7/h3-4,6,13H,5H2,1-2H3
InChIKeyYCJDINWZXXOURS-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.59
Rot. Bonds2

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

methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate (PubChem CID 69181166) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate
PubChem CID69181166
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c2ccncc12
InChIInChI=1S/C11H12N2O2/c1-7-8(5-11(14)15-2)9-6-12-4-3-10(9)13-7/h3-4,6,13H,5H2,1-2H3
InChIKeyYCJDINWZXXOURS-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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Related Compounds

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CID 54107367
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methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate
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methyl 2-(6-hydroxyisoquinolin-5-yl)acetate
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methyl 2-(5-ethoxy-2,6-dimethyl-1H-indol-3-yl)acetate
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methyl 2-[(2-methyl-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946262
methyl 2-(2-bromo-1H-indol-3-yl)acetate
CID 27281283
N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794075
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
CID 10826823
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide
CID 3655714
3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 165352496

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate (CID 69181166) is methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate is COC(=O)Cc1c(C)[nH]c2ccncc12.
What is the InChIKey of methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate?
The InChIKey is YCJDINWZXXOURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-8(5-11(14)15-2)9-6-12-4-3-10(9)13-7/h3-4,6,13H,5H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate?
methyl 2-(2-methyl-1H-pyrrolo[3,2-c]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[3,2-c]pyridin-3-yl)acetate is sourced from PubChem (CID 69181166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).