2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C12H10F3N5 — CID 139487753

IUPAC2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILES[N-]=[N+]=NCc1cn2cc(C3CC3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C12H10F3N5/c13-12(14,15)10-3-8(7-1-2-7)5-20-6-9(4-17-19-16)18-11(10)20/h3,5-7H,1-2,4H2
InChIKeyAACRKUYQIHLVAJ-UHFFFAOYSA-N
MW281.24 g/mol
LogP4.04
Rot. Bonds3

About 2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine

2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139487753) has the molecular formula C12H10F3N5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139487753
Molecular FormulaC12H10F3N5
Molecular Weight281.24 g/mol
Exact Mass281.09
IUPAC Name2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILES[N-]=[N+]=NCc1cn2cc(C3CC3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C12H10F3N5/c13-12(14,15)10-3-8(7-1-2-7)5-20-6-9(4-17-19-16)18-11(10)20/h3,5-7H,1-2,4H2
InChIKeyAACRKUYQIHLVAJ-UHFFFAOYSA-N
XLogP4.04
TPSA66.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139487753) is 2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine is [N-]=[N+]=NCc1cn2cc(C3CC3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is AACRKUYQIHLVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5/c13-12(14,15)10-3-8(7-1-2-7)5-20-6-9(4-17-19-16)18-11(10)20/h3,5-7H,1-2,4H2.
What are the key properties of 2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 281.24 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139487753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).