tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate

C13H17FN2O3 — CID 75480853

IUPACtert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2ncccc2F)C1
InChIInChI=1S/C13H17FN2O3/c1-13(2,3)19-12(17)16-7-9(8-16)18-11-10(14)5-4-6-15-11/h4-6,9H,7-8H2,1-3H3
InChIKeyPHCZBEBTMURAEJ-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.22
Rot. Bonds2

About tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate

tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate (PubChem CID 75480853) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate
PubChem CID75480853
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Nametert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2ncccc2F)C1
InChIInChI=1S/C13H17FN2O3/c1-13(2,3)19-12(17)16-7-9(8-16)18-11-10(14)5-4-6-15-11/h4-6,9H,7-8H2,1-3H3
InChIKeyPHCZBEBTMURAEJ-UHFFFAOYSA-N
XLogP2.22
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate (CID 75480853) is tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Oc2ncccc2F)C1.
What is the InChIKey of tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate?
The InChIKey is PHCZBEBTMURAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-13(2,3)19-12(17)16-7-9(8-16)18-11-10(14)5-4-6-15-11/h4-6,9H,7-8H2,1-3H3.
What are the key properties of tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate?
tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate has a molecular weight of 268.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-fluoro-2-pyridinyl)oxy]azetidine-1-carboxylate is sourced from PubChem (CID 75480853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).