3-(5-amino-2-pyridinyl)oxetan-3-ol

C8H10N2O2 — CID 164896378

IUPAC3-(5-amino-2-pyridinyl)oxetan-3-ol
SMILESNc1ccc(C2(O)COC2)nc1
InChIInChI=1S/C8H10N2O2/c9-6-1-2-7(10-3-6)8(11)4-12-5-8/h1-3,11H,4-5,9H2
InChIKeyLQNLVNAHYBWZEA-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.12
Rot. Bonds1

About 3-(5-amino-2-pyridinyl)oxetan-3-ol

3-(5-amino-2-pyridinyl)oxetan-3-ol (PubChem CID 164896378) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(5-amino-2-pyridinyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(5-amino-2-pyridinyl)oxetan-3-ol
PubChem CID164896378
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-(5-amino-2-pyridinyl)oxetan-3-ol
SMILESNc1ccc(C2(O)COC2)nc1
InChIInChI=1S/C8H10N2O2/c9-6-1-2-7(10-3-6)8(11)4-12-5-8/h1-3,11H,4-5,9H2
InChIKeyLQNLVNAHYBWZEA-UHFFFAOYSA-N
XLogP-0.12
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-pyridinyl)oxetan-3-ol?
The IUPAC name of 3-(5-amino-2-pyridinyl)oxetan-3-ol (CID 164896378) is 3-(5-amino-2-pyridinyl)oxetan-3-ol.
What is the SMILES notation for 3-(5-amino-2-pyridinyl)oxetan-3-ol?
The canonical SMILES for 3-(5-amino-2-pyridinyl)oxetan-3-ol is Nc1ccc(C2(O)COC2)nc1.
What is the InChIKey of 3-(5-amino-2-pyridinyl)oxetan-3-ol?
The InChIKey is LQNLVNAHYBWZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-6-1-2-7(10-3-6)8(11)4-12-5-8/h1-3,11H,4-5,9H2.
What are the key properties of 3-(5-amino-2-pyridinyl)oxetan-3-ol?
3-(5-amino-2-pyridinyl)oxetan-3-ol has a molecular weight of 166.18 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-pyridinyl)oxetan-3-ol is sourced from PubChem (CID 164896378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).