4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one

C10H9ClFN5O — CID 168657546

IUPAC4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ncc(Cl)cc2F)C1
InChIInChI=1S/C10H9ClFN5O/c11-7-2-8(12)10(14-4-7)17-5-6(1-9(17)18)3-15-16-13/h2,4,6H,1,3,5H2
InChIKeyPEGZTUOTQCLFDC-UHFFFAOYSA-N
MW269.67 g/mol
LogP2.54
Rot. Bonds3

About 4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one

4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168657546) has the molecular formula C10H9ClFN5O and a molecular weight of 269.67 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one
PubChem CID168657546
Molecular FormulaC10H9ClFN5O
Molecular Weight269.67 g/mol
Exact Mass269.05
IUPAC Name4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ncc(Cl)cc2F)C1
InChIInChI=1S/C10H9ClFN5O/c11-7-2-8(12)10(14-4-7)17-5-6(1-9(17)18)3-15-16-13/h2,4,6H,1,3,5H2
InChIKeyPEGZTUOTQCLFDC-UHFFFAOYSA-N
XLogP2.54
TPSA81.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.67
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[1-(5-chloro-3-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676808
4-(azidomethyl)-1-(3,5-dichloro-2-fluorophenyl)pyrrolidin-2-one
CID 168658269
4-(azidomethyl)-1-(4-bromo-3,5-difluorophenyl)pyrrolidin-2-one
CID 168657886
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
4-(azidomethyl)-1-(4-bromoisoquinolin-1-yl)pyrrolidin-2-one
CID 168657621
methyl 6-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-bromopyridine-3-carboxylate
CID 168656334
1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657581
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-chlorobenzonitrile
CID 168657932
4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one
CID 168658636
4-(azidomethyl)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168656638
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one (CID 168657546) is 4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2ncc(Cl)cc2F)C1.
What is the InChIKey of 4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is PEGZTUOTQCLFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN5O/c11-7-2-8(12)10(14-4-7)17-5-6(1-9(17)18)3-15-16-13/h2,4,6H,1,3,5H2.
What are the key properties of 4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 269.67 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168657546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).