3-(4-chloro-3-pyridinyl)oxetan-3-ol

C8H8ClNO2 — CID 86695935

IUPAC3-(4-chloro-3-pyridinyl)oxetan-3-ol
SMILESOC1(c2cnccc2Cl)COC1
InChIInChI=1S/C8H8ClNO2/c9-7-1-2-10-3-6(7)8(11)4-12-5-8/h1-3,11H,4-5H2
InChIKeyRJQYQADYTWYPPC-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.95
Rot. Bonds1

About 3-(4-chloro-3-pyridinyl)oxetan-3-ol

3-(4-chloro-3-pyridinyl)oxetan-3-ol (PubChem CID 86695935) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 3-(4-chloro-3-pyridinyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(4-chloro-3-pyridinyl)oxetan-3-ol
PubChem CID86695935
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name3-(4-chloro-3-pyridinyl)oxetan-3-ol
SMILESOC1(c2cnccc2Cl)COC1
InChIInChI=1S/C8H8ClNO2/c9-7-1-2-10-3-6(7)8(11)4-12-5-8/h1-3,11H,4-5H2
InChIKeyRJQYQADYTWYPPC-UHFFFAOYSA-N
XLogP0.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-pyridinyl)oxetan-3-ol?
The IUPAC name of 3-(4-chloro-3-pyridinyl)oxetan-3-ol (CID 86695935) is 3-(4-chloro-3-pyridinyl)oxetan-3-ol.
What is the SMILES notation for 3-(4-chloro-3-pyridinyl)oxetan-3-ol?
The canonical SMILES for 3-(4-chloro-3-pyridinyl)oxetan-3-ol is OC1(c2cnccc2Cl)COC1.
What is the InChIKey of 3-(4-chloro-3-pyridinyl)oxetan-3-ol?
The InChIKey is RJQYQADYTWYPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-7-1-2-10-3-6(7)8(11)4-12-5-8/h1-3,11H,4-5H2.
What are the key properties of 3-(4-chloro-3-pyridinyl)oxetan-3-ol?
3-(4-chloro-3-pyridinyl)oxetan-3-ol has a molecular weight of 185.61 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-pyridinyl)oxetan-3-ol is sourced from PubChem (CID 86695935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).