5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile

C11H10N6O — CID 168657848

IUPAC5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CC(CN=[N+]=[N-])CC2=O)cn1
InChIInChI=1S/C11H10N6O/c12-4-9-1-2-10(6-14-9)17-7-8(3-11(17)18)5-15-16-13/h1-2,6,8H,3,5,7H2
InChIKeyYURVZGWTXOUHQH-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.62
Rot. Bonds3

About 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile

5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 168657848) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID168657848
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CC(CN=[N+]=[N-])CC2=O)cn1
InChIInChI=1S/C11H10N6O/c12-4-9-1-2-10(6-14-9)17-7-8(3-11(17)18)5-15-16-13/h1-2,6,8H,3,5,7H2
InChIKeyYURVZGWTXOUHQH-UHFFFAOYSA-N
XLogP1.62
TPSA105.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 168658238
5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168710005
6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
CID 168658371
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(4-prop-2-ynoxyphenyl)pyrrolidin-2-one
CID 168655792
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-(4-methylphenyl)pyrazole-4-carbonitrile
CID 168656714
5-(4-ethynyl-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168502281
4-(azidomethyl)-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidin-2-one
CID 168658342
4-(azidomethyl)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 168655876
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-chlorobenzonitrile
CID 168657932

Frequently Asked Questions

What is the IUPAC name of 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile (CID 168657848) is 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CC(CN=[N+]=[N-])CC2=O)cn1.
What is the InChIKey of 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is YURVZGWTXOUHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-4-9-1-2-10(6-14-9)17-7-8(3-11(17)18)5-15-16-13/h1-2,6,8H,3,5,7H2.
What are the key properties of 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile?
5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 242.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 168657848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).