2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol

C12H5Cl3F3NO — CID 133092660

IUPAC2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol
SMILESOc1cc(C(F)(F)F)cnc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C12H5Cl3F3NO/c13-6-1-2-7(14)10(15)9(6)11-8(20)3-5(4-19-11)12(16,17)18/h1-4,20H
InChIKeyQIVJSHIYMBMOHK-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.43
Rot. Bonds1

About 2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol

2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol (PubChem CID 133092660) has the molecular formula C12H5Cl3F3NO and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol
PubChem CID133092660
Molecular FormulaC12H5Cl3F3NO
Molecular Weight342.53 g/mol
Exact Mass340.94
IUPAC Name2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol
SMILESOc1cc(C(F)(F)F)cnc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C12H5Cl3F3NO/c13-6-1-2-7(14)10(15)9(6)11-8(20)3-5(4-19-11)12(16,17)18/h1-4,20H
InChIKeyQIVJSHIYMBMOHK-UHFFFAOYSA-N
XLogP5.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol (CID 133092660) is 2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol is Oc1cc(C(F)(F)F)cnc1-c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol?
The InChIKey is QIVJSHIYMBMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3NO/c13-6-1-2-7(14)10(15)9(6)11-8(20)3-5(4-19-11)12(16,17)18/h1-4,20H.
What are the key properties of 2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol?
2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol has a molecular weight of 342.53 g/mol, XLogP of 5.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 133092660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).