1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one

C9H9F3N4O — CID 63279911

IUPAC1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one
SMILES[N-]=[N+]=NCCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)7-2-3-8(17)16(6-7)5-1-4-14-15-13/h2-3,6H,1,4-5H2
InChIKeyOKQWUZHEBNKXKX-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.57
Rot. Bonds4

About 1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one

1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63279911) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID63279911
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one
SMILES[N-]=[N+]=NCCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)7-2-3-8(17)16(6-7)5-1-4-14-15-13/h2-3,6H,1,4-5H2
InChIKeyOKQWUZHEBNKXKX-UHFFFAOYSA-N
XLogP2.57
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one (CID 63279911) is 1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one is [N-]=[N+]=NCCCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is OKQWUZHEBNKXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)7-2-3-8(17)16(6-7)5-1-4-14-15-13/h2-3,6H,1,4-5H2.
What are the key properties of 1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one?
1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 246.19 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63279911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).