2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid

C9H6N2O4 — CID 4076920

IUPAC2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)c2ccncc2C1=O
InChIInChI=1S/C9H6N2O4/c12-7(13)4-11-8(14)5-1-2-10-3-6(5)9(11)15/h1-3H,4H2,(H,12,13)
InChIKeyDPYUWQXDKQQQRE-UHFFFAOYSA-N
MW206.16 g/mol
LogP-0.24
Rot. Bonds2

About 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid

2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid (PubChem CID 4076920) has the molecular formula C9H6N2O4 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid
PubChem CID4076920
Molecular FormulaC9H6N2O4
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Name2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)c2ccncc2C1=O
InChIInChI=1S/C9H6N2O4/c12-7(13)4-11-8(14)5-1-2-10-3-6(5)9(11)15/h1-3H,4H2,(H,12,13)
InChIKeyDPYUWQXDKQQQRE-UHFFFAOYSA-N
XLogP-0.24
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid?
The IUPAC name of 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid (CID 4076920) is 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid is O=C(O)CN1C(=O)c2ccncc2C1=O.
What is the InChIKey of 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid?
The InChIKey is DPYUWQXDKQQQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4/c12-7(13)4-11-8(14)5-1-2-10-3-6(5)9(11)15/h1-3H,4H2,(H,12,13).
What are the key properties of 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid?
2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid has a molecular weight of 206.16 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)acetic acid is sourced from PubChem (CID 4076920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).