3-(4-chloro-2-pyridinyl)oxetan-3-amine

C8H9ClN2O — CID 166160698

IUPAC3-(4-chloro-2-pyridinyl)oxetan-3-amine
SMILESNC1(c2cc(Cl)ccn2)COC1
InChIInChI=1S/C8H9ClN2O/c9-6-1-2-11-7(3-6)8(10)4-12-5-8/h1-3H,4-5,10H2
InChIKeyBWYOTJHJELGLCI-UHFFFAOYSA-N
MW184.63 g/mol
LogP0.92
Rot. Bonds1

About 3-(4-chloro-2-pyridinyl)oxetan-3-amine

3-(4-chloro-2-pyridinyl)oxetan-3-amine (PubChem CID 166160698) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 3-(4-chloro-2-pyridinyl)oxetan-3-amine.

Molecular Properties

Compound Name3-(4-chloro-2-pyridinyl)oxetan-3-amine
PubChem CID166160698
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name3-(4-chloro-2-pyridinyl)oxetan-3-amine
SMILESNC1(c2cc(Cl)ccn2)COC1
InChIInChI=1S/C8H9ClN2O/c9-6-1-2-11-7(3-6)8(10)4-12-5-8/h1-3H,4-5,10H2
InChIKeyBWYOTJHJELGLCI-UHFFFAOYSA-N
XLogP0.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-pyridinyl)oxetan-3-amine?
The IUPAC name of 3-(4-chloro-2-pyridinyl)oxetan-3-amine (CID 166160698) is 3-(4-chloro-2-pyridinyl)oxetan-3-amine.
What is the SMILES notation for 3-(4-chloro-2-pyridinyl)oxetan-3-amine?
The canonical SMILES for 3-(4-chloro-2-pyridinyl)oxetan-3-amine is NC1(c2cc(Cl)ccn2)COC1.
What is the InChIKey of 3-(4-chloro-2-pyridinyl)oxetan-3-amine?
The InChIKey is BWYOTJHJELGLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-6-1-2-11-7(3-6)8(10)4-12-5-8/h1-3H,4-5,10H2.
What are the key properties of 3-(4-chloro-2-pyridinyl)oxetan-3-amine?
3-(4-chloro-2-pyridinyl)oxetan-3-amine has a molecular weight of 184.63 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-pyridinyl)oxetan-3-amine is sourced from PubChem (CID 166160698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).