3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol

C9H7ClF3NO2 — CID 86706873

IUPAC3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol
SMILESOC1(c2cc(Cl)nc(C(F)(F)F)c2)COC1
InChIInChI=1S/C9H7ClF3NO2/c10-7-2-5(8(15)3-16-4-8)1-6(14-7)9(11,12)13/h1-2,15H,3-4H2
InChIKeyUVCFMVJBVVLPAC-UHFFFAOYSA-N
MW253.61 g/mol
LogP1.97
Rot. Bonds1

About 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol

3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol (PubChem CID 86706873) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol
PubChem CID86706873
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Name3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol
SMILESOC1(c2cc(Cl)nc(C(F)(F)F)c2)COC1
InChIInChI=1S/C9H7ClF3NO2/c10-7-2-5(8(15)3-16-4-8)1-6(14-7)9(11,12)13/h1-2,15H,3-4H2
InChIKeyUVCFMVJBVVLPAC-UHFFFAOYSA-N
XLogP1.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol?
The IUPAC name of 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol (CID 86706873) is 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol.
What is the SMILES notation for 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol?
The canonical SMILES for 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol is OC1(c2cc(Cl)nc(C(F)(F)F)c2)COC1.
What is the InChIKey of 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol?
The InChIKey is UVCFMVJBVVLPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c10-7-2-5(8(15)3-16-4-8)1-6(14-7)9(11,12)13/h1-2,15H,3-4H2.
What are the key properties of 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol?
3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol has a molecular weight of 253.61 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxetan-3-ol is sourced from PubChem (CID 86706873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).