3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C9H6ClF3N2O2 — CID 155744115

IUPAC3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Cl)nc2)=NO1
InChIInChI=1S/C9H6ClF3N2O2/c10-7-2-1-5(4-14-7)6-3-8(16,17-15-6)9(11,12)13/h1-2,4,16H,3H2
InChIKeyOFONLSLYKPKFHM-UHFFFAOYSA-N
MW266.61 g/mol
LogP2.11
Rot. Bonds1

About 3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155744115) has the molecular formula C9H6ClF3N2O2 and a molecular weight of 266.61 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155744115
Molecular FormulaC9H6ClF3N2O2
Molecular Weight266.61 g/mol
Exact Mass266.01
IUPAC Name3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Cl)nc2)=NO1
InChIInChI=1S/C9H6ClF3N2O2/c10-7-2-1-5(4-14-7)6-3-8(16,17-15-6)9(11,12)13/h1-2,4,16H,3H2
InChIKeyOFONLSLYKPKFHM-UHFFFAOYSA-N
XLogP2.11
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155744115) is 3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(Cl)nc2)=NO1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is OFONLSLYKPKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2O2/c10-7-2-1-5(4-14-7)6-3-8(16,17-15-6)9(11,12)13/h1-2,4,16H,3H2.
What are the key properties of 3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 266.61 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155744115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).