1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid

C12H14N2O3 — CID 67237776

IUPAC1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESCOCCn1cc(C(=O)O)c2nccc(C)c21
InChIInChI=1S/C12H14N2O3/c1-8-3-4-13-10-9(12(15)16)7-14(11(8)10)5-6-17-2/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyRVLNSOJLPMEYFV-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.69
Rot. Bonds4

About 1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid

1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 67237776) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID67237776
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESCOCCn1cc(C(=O)O)c2nccc(C)c21
InChIInChI=1S/C12H14N2O3/c1-8-3-4-13-10-9(12(15)16)7-14(11(8)10)5-6-17-2/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyRVLNSOJLPMEYFV-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 67237776) is 1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid is COCCn1cc(C(=O)O)c2nccc(C)c21.
What is the InChIKey of 1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is RVLNSOJLPMEYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-3-4-13-10-9(12(15)16)7-14(11(8)10)5-6-17-2/h3-4,7H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid?
1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 67237776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).