2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile

C7H6N2O2 — CID 126997695

IUPAC2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile
SMILESN#CCN1C(=O)C=CCC1=O
InChIInChI=1S/C7H6N2O2/c8-4-5-9-6(10)2-1-3-7(9)11/h1-2H,3,5H2
InChIKeyOXGOYVLXVCVBSG-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.17
Rot. Bonds1

About 2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile

2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile (PubChem CID 126997695) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile
PubChem CID126997695
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile
SMILESN#CCN1C(=O)C=CCC1=O
InChIInChI=1S/C7H6N2O2/c8-4-5-9-6(10)2-1-3-7(9)11/h1-2H,3,5H2
InChIKeyOXGOYVLXVCVBSG-UHFFFAOYSA-N
XLogP-0.17
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile?
The IUPAC name of 2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile (CID 126997695) is 2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile?
The canonical SMILES for 2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile is N#CCN1C(=O)C=CCC1=O.
What is the InChIKey of 2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile?
The InChIKey is OXGOYVLXVCVBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c8-4-5-9-6(10)2-1-3-7(9)11/h1-2H,3,5H2.
What are the key properties of 2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile?
2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile has a molecular weight of 150.14 g/mol, XLogP of -0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile is sourced from PubChem (CID 126997695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).