1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid

C8H8N2O2 — CID 129246500

IUPAC1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1C=Cc2cc[nH]c2C1
InChIInChI=1S/C8H8N2O2/c11-8(12)10-4-2-6-1-3-9-7(6)5-10/h1-4,9H,5H2,(H,11,12)
InChIKeyPLXULFUMAYLLSW-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.48
Rot. Bonds

About 1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid

1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid (PubChem CID 129246500) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid
PubChem CID129246500
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1C=Cc2cc[nH]c2C1
InChIInChI=1S/C8H8N2O2/c11-8(12)10-4-2-6-1-3-9-7(6)5-10/h1-4,9H,5H2,(H,11,12)
InChIKeyPLXULFUMAYLLSW-UHFFFAOYSA-N
XLogP1.48
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid?
The IUPAC name of 1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid (CID 129246500) is 1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid is O=C(O)N1C=Cc2cc[nH]c2C1.
What is the InChIKey of 1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid?
The InChIKey is PLXULFUMAYLLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(12)10-4-2-6-1-3-9-7(6)5-10/h1-4,9H,5H2,(H,11,12).
What are the key properties of 1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid?
1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 129246500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).