1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid

C8H8N2O2 — CID 70298900

IUPAC1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
SMILESO=C(O)N1Cc2ccncc2C1
InChIInChI=1S/C8H8N2O2/c11-8(12)10-4-6-1-2-9-3-7(6)5-10/h1-3H,4-5H2,(H,11,12)
InChIKeySABABHPBGBYGTA-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.08
Rot. Bonds

About 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid

1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid (PubChem CID 70298900) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
PubChem CID70298900
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
SMILESO=C(O)N1Cc2ccncc2C1
InChIInChI=1S/C8H8N2O2/c11-8(12)10-4-6-1-2-9-3-7(6)5-10/h1-3H,4-5H2,(H,11,12)
InChIKeySABABHPBGBYGTA-UHFFFAOYSA-N
XLogP1.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid?
The IUPAC name of 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid (CID 70298900) is 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid?
The canonical SMILES for 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid is O=C(O)N1Cc2ccncc2C1.
What is the InChIKey of 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid?
The InChIKey is SABABHPBGBYGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8(12)10-4-6-1-2-9-3-7(6)5-10/h1-3H,4-5H2,(H,11,12).
What are the key properties of 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid?
1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid has a molecular weight of 164.16 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 70298900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).