5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid

C10H8N2O4 — CID 18455978

IUPAC5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid
SMILESCc1cnc2c(c1)cc(C(=O)O)n2C(=O)O
InChIInChI=1S/C10H8N2O4/c1-5-2-6-3-7(9(13)14)12(10(15)16)8(6)11-4-5/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyKTFXWQOHSYWONI-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.57
Rot. Bonds1

About 5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid

5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid (PubChem CID 18455978) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid
PubChem CID18455978
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid
SMILESCc1cnc2c(c1)cc(C(=O)O)n2C(=O)O
InChIInChI=1S/C10H8N2O4/c1-5-2-6-3-7(9(13)14)12(10(15)16)8(6)11-4-5/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyKTFXWQOHSYWONI-UHFFFAOYSA-N
XLogP1.57
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid?
The IUPAC name of 5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid (CID 18455978) is 5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid.
What is the SMILES notation for 5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid?
The canonical SMILES for 5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid is Cc1cnc2c(c1)cc(C(=O)O)n2C(=O)O.
What is the InChIKey of 5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid?
The InChIKey is KTFXWQOHSYWONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-5-2-6-3-7(9(13)14)12(10(15)16)8(6)11-4-5/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid?
5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid is sourced from PubChem (CID 18455978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).