3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine

C9H11FN2O — CID 159440144

IUPAC3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine
SMILESNC1CC(Oc2ccc(F)nc2)C1
InChIInChI=1S/C9H11FN2O/c10-9-2-1-7(5-12-9)13-8-3-6(11)4-8/h1-2,5-6,8H,3-4,11H2
InChIKeyABAGQGDIWYCPOP-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.09
Rot. Bonds2

About 3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine

3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine (PubChem CID 159440144) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine
PubChem CID159440144
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine
SMILESNC1CC(Oc2ccc(F)nc2)C1
InChIInChI=1S/C9H11FN2O/c10-9-2-1-7(5-12-9)13-8-3-6(11)4-8/h1-2,5-6,8H,3-4,11H2
InChIKeyABAGQGDIWYCPOP-UHFFFAOYSA-N
XLogP1.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine?
The IUPAC name of 3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine (CID 159440144) is 3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine?
The canonical SMILES for 3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine is NC1CC(Oc2ccc(F)nc2)C1.
What is the InChIKey of 3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine?
The InChIKey is ABAGQGDIWYCPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-9-2-1-7(5-12-9)13-8-3-6(11)4-8/h1-2,5-6,8H,3-4,11H2.
What are the key properties of 3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine?
3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine has a molecular weight of 182.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 159440144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).