tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate

C10H16N4O2 — CID 151850011

IUPACtert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(N=[N+]=[N-])CC1
InChIInChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-6-4-8(5-7-14)12-13-11/h4H,5-7H2,1-3H3
InChIKeySILURIZYFPOAIT-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.82
Rot. Bonds1

About tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 151850011) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID151850011
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nametert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(N=[N+]=[N-])CC1
InChIInChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-6-4-8(5-7-14)12-13-11/h4H,5-7H2,1-3H3
InChIKeySILURIZYFPOAIT-UHFFFAOYSA-N
XLogP2.82
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.82
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 tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate (CID 151850011) is tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(N=[N+]=[N-])CC1.
What is the InChIKey of tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is SILURIZYFPOAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-6-4-8(5-7-14)12-13-11/h4H,5-7H2,1-3H3.
What are the key properties of tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-azido-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 151850011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).