2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid

C9H8N2O4 — CID 118578499

IUPAC2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid
SMILESO=C(O)N1C=CC2=CCN(C(=O)O)C2=C1
InChIInChI=1S/C9H8N2O4/c12-8(13)10-3-1-6-2-4-11(9(14)15)7(6)5-10/h1-3,5H,4H2,(H,12,13)(H,14,15)
InChIKeyBMPNRIPTGHFEBI-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.26
Rot. Bonds

About 2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid

2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid (PubChem CID 118578499) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid.

Molecular Properties

Compound Name2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid
PubChem CID118578499
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid
SMILESO=C(O)N1C=CC2=CCN(C(=O)O)C2=C1
InChIInChI=1S/C9H8N2O4/c12-8(13)10-3-1-6-2-4-11(9(14)15)7(6)5-10/h1-3,5H,4H2,(H,12,13)(H,14,15)
InChIKeyBMPNRIPTGHFEBI-UHFFFAOYSA-N
XLogP1.26
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid?
The IUPAC name of 2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid (CID 118578499) is 2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid.
What is the SMILES notation for 2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid?
The canonical SMILES for 2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid is O=C(O)N1C=CC2=CCN(C(=O)O)C2=C1.
What is the InChIKey of 2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid?
The InChIKey is BMPNRIPTGHFEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-8(13)10-3-1-6-2-4-11(9(14)15)7(6)5-10/h1-3,5H,4H2,(H,12,13)(H,14,15).
What are the key properties of 2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid?
2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid is sourced from PubChem (CID 118578499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).