4-(3-fluorooxetan-3-yl)pyridin-3-amine

C8H9FN2O — CID 118064094

IUPAC4-(3-fluorooxetan-3-yl)pyridin-3-amine
SMILESNc1cnccc1C1(F)COC1
InChIInChI=1S/C8H9FN2O/c9-8(4-12-5-8)6-1-2-11-3-7(6)10/h1-3H,4-5,10H2
InChIKeyNQKOOTGYFYKPEP-UHFFFAOYSA-N
MW168.17 g/mol
LogP0.86
Rot. Bonds1

About 4-(3-fluorooxetan-3-yl)pyridin-3-amine

4-(3-fluorooxetan-3-yl)pyridin-3-amine (PubChem CID 118064094) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 4-(3-fluorooxetan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(3-fluorooxetan-3-yl)pyridin-3-amine
PubChem CID118064094
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name4-(3-fluorooxetan-3-yl)pyridin-3-amine
SMILESNc1cnccc1C1(F)COC1
InChIInChI=1S/C8H9FN2O/c9-8(4-12-5-8)6-1-2-11-3-7(6)10/h1-3H,4-5,10H2
InChIKeyNQKOOTGYFYKPEP-UHFFFAOYSA-N
XLogP0.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorooxetan-3-yl)pyridin-3-amine?
The IUPAC name of 4-(3-fluorooxetan-3-yl)pyridin-3-amine (CID 118064094) is 4-(3-fluorooxetan-3-yl)pyridin-3-amine.
What is the SMILES notation for 4-(3-fluorooxetan-3-yl)pyridin-3-amine?
The canonical SMILES for 4-(3-fluorooxetan-3-yl)pyridin-3-amine is Nc1cnccc1C1(F)COC1.
What is the InChIKey of 4-(3-fluorooxetan-3-yl)pyridin-3-amine?
The InChIKey is NQKOOTGYFYKPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-8(4-12-5-8)6-1-2-11-3-7(6)10/h1-3H,4-5,10H2.
What are the key properties of 4-(3-fluorooxetan-3-yl)pyridin-3-amine?
4-(3-fluorooxetan-3-yl)pyridin-3-amine has a molecular weight of 168.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorooxetan-3-yl)pyridin-3-amine is sourced from PubChem (CID 118064094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).