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

C15H10N2O4 — CID 65345310

IUPAC2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N2C(=O)c3ccncc3C2=O)c1
InChIInChI=1S/C15H10N2O4/c18-13(19)7-9-2-1-3-10(6-9)17-14(20)11-4-5-16-8-12(11)15(17)21/h1-6,8H,7H2,(H,18,19)
InChIKeyDZPGLCXWLKTYRZ-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.51
Rot. Bonds3

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

2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid (PubChem CID 65345310) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid
PubChem CID65345310
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N2C(=O)c3ccncc3C2=O)c1
InChIInChI=1S/C15H10N2O4/c18-13(19)7-9-2-1-3-10(6-9)17-14(20)11-4-5-16-8-12(11)15(17)21/h1-6,8H,7H2,(H,18,19)
InChIKeyDZPGLCXWLKTYRZ-UHFFFAOYSA-N
XLogP1.51
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.51
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

4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)benzoic acid
CID 4583704
3-Oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxylic acid
CID 653954
(2S)-2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-3-phenylpropanoic acid
CID 3236492
1-{4-Carboxy-4-[(pyridine-3-carbonyl)-amino]-butyryl}-2,3-dihydro-1H-indole-2-carboxylic acid
CID 13937779
3-(5,7-Dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)benzoic acid
CID 622617
4-[3-Cyano-4-(piperidine-1-carbonyl)pyrrol-1-yl]benzoic acid
CID 59477552
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)benzoic acid
CID 695595
5-(1,3-Dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-2-(pyridin-3-ylmethylamino)benzoic acid
CID 3135667
2-Phenylindolizine-6-carboxylic acid
CID 5272716
1,3-Dioxo-2-(pyridin-4-yl)-2,3-dihydro-1h-isoindole-5-carboxylic acid
CID 554504
2-(4-Ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 6622518
2-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 711897

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid (CID 65345310) is 2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid is O=C(O)Cc1cccc(N2C(=O)c3ccncc3C2=O)c1.
What is the InChIKey of 2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid?
The InChIKey is DZPGLCXWLKTYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-13(19)7-9-2-1-3-10(6-9)17-14(20)11-4-5-16-8-12(11)15(17)21/h1-6,8H,7H2,(H,18,19).
What are the key properties of 2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid?
2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid is sourced from PubChem (CID 65345310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).