4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile

C10H8ClN3O — CID 168689640

IUPAC4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CC(Cl)CC2=O)ccn1
InChIInChI=1S/C10H8ClN3O/c11-7-3-10(15)14(6-7)9-1-2-13-8(4-9)5-12/h1-2,4,7H,3,6H2
InChIKeyWGOJWARQXGGKSB-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.30
Rot. Bonds1

About 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile

4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile (PubChem CID 168689640) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
PubChem CID168689640
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CC(Cl)CC2=O)ccn1
InChIInChI=1S/C10H8ClN3O/c11-7-3-10(15)14(6-7)9-1-2-13-8(4-9)5-12/h1-2,4,7H,3,6H2
InChIKeyWGOJWARQXGGKSB-UHFFFAOYSA-N
XLogP1.30
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile (CID 168689640) is 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile is N#Cc1cc(N2CC(Cl)CC2=O)ccn1.
What is the InChIKey of 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is WGOJWARQXGGKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-7-3-10(15)14(6-7)9-1-2-13-8(4-9)5-12/h1-2,4,7H,3,6H2.
What are the key properties of 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile?
4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 221.65 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 168689640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).