1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid

C11H12N2O3 — CID 90027529

IUPAC1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc2cc(OC)cnc21
InChIInChI=1S/C11H12N2O3/c1-3-13-9(11(14)15)5-7-4-8(16-2)6-12-10(7)13/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyLCTKNQAZRJHBRC-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.76
Rot. Bonds3

About 1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid

1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 90027529) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID90027529
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc2cc(OC)cnc21
InChIInChI=1S/C11H12N2O3/c1-3-13-9(11(14)15)5-7-4-8(16-2)6-12-10(7)13/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyLCTKNQAZRJHBRC-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 90027529) is 1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid is CCn1c(C(=O)O)cc2cc(OC)cnc21.
What is the InChIKey of 1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is LCTKNQAZRJHBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-13-9(11(14)15)5-7-4-8(16-2)6-12-10(7)13/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid?
1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 90027529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).