6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile

C10H7N3O2 — CID 71813200

IUPAC6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2C(=O)CCC2=O)nc1
InChIInChI=1S/C10H7N3O2/c11-5-7-1-2-8(12-6-7)13-9(14)3-4-10(13)15/h1-2,6H,3-4H2
InChIKeyISYMMYLBJDMHHL-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.61
Rot. Bonds1

About 6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile

6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile (PubChem CID 71813200) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile
PubChem CID71813200
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2C(=O)CCC2=O)nc1
InChIInChI=1S/C10H7N3O2/c11-5-7-1-2-8(12-6-7)13-9(14)3-4-10(13)15/h1-2,6H,3-4H2
InChIKeyISYMMYLBJDMHHL-UHFFFAOYSA-N
XLogP0.61
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 47068773
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 168663615
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile
CID 63770111
6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133271157
6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
CID 28822352
6-[(3aS,6aR)-4-oxo-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 124784298
1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid
CID 175302065
6-(2-cyanopyrrol-1-yl)pyridine-3-carbonitrile
CID 114650786
3-(2,5-dioxopyrrolidin-1-yl)-4-methylbenzonitrile
CID 55211446
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride
CID 67324559
6-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)pyridine-3-carbonitrile
CID 118188991

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile (CID 71813200) is 6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2C(=O)CCC2=O)nc1.
What is the InChIKey of 6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is ISYMMYLBJDMHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c11-5-7-1-2-8(12-6-7)13-9(14)3-4-10(13)15/h1-2,6H,3-4H2.
What are the key properties of 6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile?
6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 201.19 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 71813200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).