6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile

C11H10N6O — CID 168658371

IUPAC6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CC(CN=[N+]=[N-])CC2=O)n1
InChIInChI=1S/C11H10N6O/c12-5-9-2-1-3-10(15-9)17-7-8(4-11(17)18)6-14-16-13/h1-3,8H,4,6-7H2
InChIKeySNWPKWSZEHDTNZ-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.62
Rot. Bonds3

About 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile

6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 168658371) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID168658371
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CC(CN=[N+]=[N-])CC2=O)n1
InChIInChI=1S/C11H10N6O/c12-5-9-2-1-3-10(15-9)17-7-8(4-11(17)18)6-14-16-13/h1-3,8H,4,6-7H2
InChIKeySNWPKWSZEHDTNZ-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-2-carbonitrile
CID 168657848
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-chlorobenzonitrile
CID 168657932
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-methoxybenzonitrile
CID 168656424
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
CID 168656926
4-(azidomethyl)-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one
CID 168657877
1-(6-cyano-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719366
5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 168658238
4-(azidomethyl)-1-[5-bromo-6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168657860
3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyrazole-4-carbonitrile
CID 168656986
4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168656711
5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-(4-methylphenyl)pyrazole-4-carbonitrile
CID 168656714
[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]boronic acid
CID 168658361

Frequently Asked Questions

What is the IUPAC name of 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile (CID 168658371) is 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CC(CN=[N+]=[N-])CC2=O)n1.
What is the InChIKey of 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is SNWPKWSZEHDTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-5-9-2-1-3-10(15-9)17-7-8(4-11(17)18)6-14-16-13/h1-3,8H,4,6-7H2.
What are the key properties of 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile?
6-[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 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 168658371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).