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'}

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Related Compounds

Nicotinuric Acid
CID 68499
N-(4-Trifluoromethylnicotinoyl)glycine
CID 46835486
3,4-Pyridinedicarboximide
CID 72926
2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 6622480
1,2-Dihydro-3H-pyrrolo(3,4-c)pyridin-3-one
CID 20505166
2-(hydroxymethyl)-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 736233
6-(hydroxymethyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 2133484
(2S)-2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-3-phenylpropanoic acid
CID 3236492
3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanoic acid
CID 712563
2-cyclohexyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 1263478
6-cyclohexyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 3235817
2-[3-[Benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 44818783

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).