ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol

C13H23NO2 — CID 178060643

IUPACethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol
SMILESCC.CC.Cc1ccc(C2(O)COC2)nc1
InChIInChI=1S/C9H11NO2.2C2H6/c1-7-2-3-8(10-4-7)9(11)5-12-6-9;2*1-2/h2-4,11H,5-6H2,1H3;2*1-2H3
InChIKeyJLBLWMLFHMHJNN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.66
Rot. Bonds1

About ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol

ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol (PubChem CID 178060643) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol.

Molecular Properties

Compound Nameethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol
PubChem CID178060643
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol
SMILESCC.CC.Cc1ccc(C2(O)COC2)nc1
InChIInChI=1S/C9H11NO2.2C2H6/c1-7-2-3-8(10-4-7)9(11)5-12-6-9;2*1-2/h2-4,11H,5-6H2,1H3;2*1-2H3
InChIKeyJLBLWMLFHMHJNN-UHFFFAOYSA-N
XLogP2.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol?
The IUPAC name of ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol (CID 178060643) is ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol.
What is the SMILES notation for ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol?
The canonical SMILES for ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol is CC.CC.Cc1ccc(C2(O)COC2)nc1.
What is the InChIKey of ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol?
The InChIKey is JLBLWMLFHMHJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.2C2H6/c1-7-2-3-8(10-4-7)9(11)5-12-6-9;2*1-2/h2-4,11H,5-6H2,1H3;2*1-2H3.
What are the key properties of ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol?
ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol has a molecular weight of 225.33 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol is sourced from PubChem (CID 178060643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).