2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine

C12H16N4 — CID 135272793

IUPAC2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine
SMILESCCC1(c2cccc(CN=[N+]=[N-])n2)CCC1
InChIInChI=1S/C12H16N4/c1-2-12(7-4-8-12)11-6-3-5-10(15-11)9-14-16-13/h3,5-6H,2,4,7-9H2,1H3
InChIKeyVSUBINLONUGGBL-UHFFFAOYSA-N
MW216.29 g/mol
LogP3.72
Rot. Bonds4

About 2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine

2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine (PubChem CID 135272793) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine.

Molecular Properties

Compound Name2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine
PubChem CID135272793
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine
SMILESCCC1(c2cccc(CN=[N+]=[N-])n2)CCC1
InChIInChI=1S/C12H16N4/c1-2-12(7-4-8-12)11-6-3-5-10(15-11)9-14-16-13/h3,5-6H,2,4,7-9H2,1H3
InChIKeyVSUBINLONUGGBL-UHFFFAOYSA-N
XLogP3.72
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 53.72
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-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine?
The IUPAC name of 2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine (CID 135272793) is 2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine.
What is the SMILES notation for 2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine?
The canonical SMILES for 2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine is CCC1(c2cccc(CN=[N+]=[N-])n2)CCC1.
What is the InChIKey of 2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine?
The InChIKey is VSUBINLONUGGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-12(7-4-8-12)11-6-3-5-10(15-11)9-14-16-13/h3,5-6H,2,4,7-9H2,1H3.
What are the key properties of 2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine?
2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine has a molecular weight of 216.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine is sourced from PubChem (CID 135272793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).