5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid

C8H8N2O2 — CID 86341619

IUPAC5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid
SMILESO=C(O)n1ccc2c1=CNCC=2
InChIInChI=1S/C8H8N2O2/c11-8(12)10-4-2-6-1-3-9-5-7(6)10/h1-2,4-5,9H,3H2,(H,11,12)
InChIKeyRXWDXLIJETUIQE-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.86
Rot. Bonds

About 5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid

5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid (PubChem CID 86341619) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid
PubChem CID86341619
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid
SMILESO=C(O)n1ccc2c1=CNCC=2
InChIInChI=1S/C8H8N2O2/c11-8(12)10-4-2-6-1-3-9-5-7(6)10/h1-2,4-5,9H,3H2,(H,11,12)
InChIKeyRXWDXLIJETUIQE-UHFFFAOYSA-N
XLogP-0.86
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid?
The IUPAC name of 5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid (CID 86341619) is 5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid?
The canonical SMILES for 5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid is O=C(O)n1ccc2c1=CNCC=2.
What is the InChIKey of 5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid?
The InChIKey is RXWDXLIJETUIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(12)10-4-2-6-1-3-9-5-7(6)10/h1-2,4-5,9H,3H2,(H,11,12).
What are the key properties of 5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid?
5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of -0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 86341619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).