2-(azidomethyl)-6-(trityloxymethyl)pyridine

C26H22N4O — CID 86066890

IUPAC2-(azidomethyl)-6-(trityloxymethyl)pyridine
SMILES[N-]=[N+]=NCc1cccc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H22N4O/c27-30-28-19-24-17-10-18-25(29-24)20-31-26(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-18H,19-20H2
InChIKeyJKKSBZIHXBLZAY-UHFFFAOYSA-N
MW406.49 g/mol
LogP6.40
Rot. Bonds8

About 2-(azidomethyl)-6-(trityloxymethyl)pyridine

2-(azidomethyl)-6-(trityloxymethyl)pyridine (PubChem CID 86066890) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(azidomethyl)-6-(trityloxymethyl)pyridine.

Molecular Properties

Compound Name2-(azidomethyl)-6-(trityloxymethyl)pyridine
PubChem CID86066890
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name2-(azidomethyl)-6-(trityloxymethyl)pyridine
SMILES[N-]=[N+]=NCc1cccc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H22N4O/c27-30-28-19-24-17-10-18-25(29-24)20-31-26(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-18H,19-20H2
InChIKeyJKKSBZIHXBLZAY-UHFFFAOYSA-N
XLogP6.40
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.40
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-6-(trityloxymethyl)pyridine?
The IUPAC name of 2-(azidomethyl)-6-(trityloxymethyl)pyridine (CID 86066890) is 2-(azidomethyl)-6-(trityloxymethyl)pyridine.
What is the SMILES notation for 2-(azidomethyl)-6-(trityloxymethyl)pyridine?
The canonical SMILES for 2-(azidomethyl)-6-(trityloxymethyl)pyridine is [N-]=[N+]=NCc1cccc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-(azidomethyl)-6-(trityloxymethyl)pyridine?
The InChIKey is JKKSBZIHXBLZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c27-30-28-19-24-17-10-18-25(29-24)20-31-26(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-18H,19-20H2.
What are the key properties of 2-(azidomethyl)-6-(trityloxymethyl)pyridine?
2-(azidomethyl)-6-(trityloxymethyl)pyridine has a molecular weight of 406.49 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-6-(trityloxymethyl)pyridine is sourced from PubChem (CID 86066890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).