2-(2-azidoethyl)-3-(trifluoromethyl)pyridine

C8H7F3N4 — CID 150181996

IUPAC2-(2-azidoethyl)-3-(trifluoromethyl)pyridine
SMILES[N-]=[N+]=NCCc1ncccc1C(F)(F)F
InChIInChI=1S/C8H7F3N4/c9-8(10,11)6-2-1-4-13-7(6)3-5-14-15-12/h1-2,4H,3,5H2
InChIKeyFLPXOXXANPGQSH-UHFFFAOYSA-N
MW216.17 g/mol
LogP2.95
Rot. Bonds3

About 2-(2-azidoethyl)-3-(trifluoromethyl)pyridine

2-(2-azidoethyl)-3-(trifluoromethyl)pyridine (PubChem CID 150181996) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 2-(2-azidoethyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-azidoethyl)-3-(trifluoromethyl)pyridine
PubChem CID150181996
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name2-(2-azidoethyl)-3-(trifluoromethyl)pyridine
SMILES[N-]=[N+]=NCCc1ncccc1C(F)(F)F
InChIInChI=1S/C8H7F3N4/c9-8(10,11)6-2-1-4-13-7(6)3-5-14-15-12/h1-2,4H,3,5H2
InChIKeyFLPXOXXANPGQSH-UHFFFAOYSA-N
XLogP2.95
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-azidoethyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-azidoethyl)-3-(trifluoromethyl)pyridine (CID 150181996) is 2-(2-azidoethyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-azidoethyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-azidoethyl)-3-(trifluoromethyl)pyridine is [N-]=[N+]=NCCc1ncccc1C(F)(F)F.
What is the InChIKey of 2-(2-azidoethyl)-3-(trifluoromethyl)pyridine?
The InChIKey is FLPXOXXANPGQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c9-8(10,11)6-2-1-4-13-7(6)3-5-14-15-12/h1-2,4H,3,5H2.
What are the key properties of 2-(2-azidoethyl)-3-(trifluoromethyl)pyridine?
2-(2-azidoethyl)-3-(trifluoromethyl)pyridine has a molecular weight of 216.17 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 150181996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).