5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C10H8N2O4 — CID 69228517

IUPAC5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCOC(=O)c1cnc2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C10H8N2O4/c1-16-10(15)6-2-5-3-7(9(13)14)12-8(5)11-4-6/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyGWGITNPFMIFYGH-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.05
Rot. Bonds2

About 5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 69228517) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID69228517
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCOC(=O)c1cnc2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C10H8N2O4/c1-16-10(15)6-2-5-3-7(9(13)14)12-8(5)11-4-6/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyGWGITNPFMIFYGH-UHFFFAOYSA-N
XLogP1.05
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 69228517) is 5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is COC(=O)c1cnc2[nH]c(C(=O)O)cc2c1.
What is the InChIKey of 5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is GWGITNPFMIFYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-16-10(15)6-2-5-3-7(9(13)14)12-8(5)11-4-6/h2-4H,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 69228517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).