3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine

C8H8ClFN2O — CID 145351456

IUPAC3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine
SMILESNC1(c2ncc(Cl)cc2F)COC1
InChIInChI=1S/C8H8ClFN2O/c9-5-1-6(10)7(12-2-5)8(11)3-13-4-8/h1-2H,3-4,11H2
InChIKeyBJPXPMWAVKPIDK-UHFFFAOYSA-N
MW202.62 g/mol
LogP1.06
Rot. Bonds1

About 3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine

3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine (PubChem CID 145351456) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is 3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine.

Molecular Properties

Compound Name3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine
PubChem CID145351456
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine
SMILESNC1(c2ncc(Cl)cc2F)COC1
InChIInChI=1S/C8H8ClFN2O/c9-5-1-6(10)7(12-2-5)8(11)3-13-4-8/h1-2H,3-4,11H2
InChIKeyBJPXPMWAVKPIDK-UHFFFAOYSA-N
XLogP1.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine?
The IUPAC name of 3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine (CID 145351456) is 3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine.
What is the SMILES notation for 3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine?
The canonical SMILES for 3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine is NC1(c2ncc(Cl)cc2F)COC1.
What is the InChIKey of 3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine?
The InChIKey is BJPXPMWAVKPIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c9-5-1-6(10)7(12-2-5)8(11)3-13-4-8/h1-2H,3-4,11H2.
What are the key properties of 3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine?
3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine has a molecular weight of 202.62 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-fluoro-2-pyridinyl)oxetan-3-amine is sourced from PubChem (CID 145351456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).