2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol

C18H6Cl6F3NO — CID 133092515

IUPAC2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol
SMILESOc1c(-c2c(Cl)ccc(Cl)c2Cl)cc(C(F)(F)F)nc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C18H6Cl6F3NO/c19-7-1-3-9(21)14(23)12(7)6-5-11(18(25,26)27)28-16(17(6)29)13-8(20)2-4-10(22)15(13)24/h1-5,29H
InChIKeyOZKYHMYJNQIJMK-UHFFFAOYSA-N
MW521.96 g/mol
LogP9.06
Rot. Bonds2

About 2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol

2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol (PubChem CID 133092515) has the molecular formula C18H6Cl6F3NO and a molecular weight of 521.96 g/mol. Its IUPAC name is 2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol
PubChem CID133092515
Molecular FormulaC18H6Cl6F3NO
Molecular Weight521.96 g/mol
Exact Mass518.85
IUPAC Name2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol
SMILESOc1c(-c2c(Cl)ccc(Cl)c2Cl)cc(C(F)(F)F)nc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C18H6Cl6F3NO/c19-7-1-3-9(21)14(23)12(7)6-5-11(18(25,26)27)28-16(17(6)29)13-8(20)2-4-10(22)15(13)24/h1-5,29H
InChIKeyOZKYHMYJNQIJMK-UHFFFAOYSA-N
XLogP9.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.96
LogP ≤ 59.06
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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Related Compounds

2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol
CID 133092660
2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134630482
3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 133089927
3-chloro-2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636029
3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637276
2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 134624047
5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134637270
2-chloro-6-(2,3,6-trichlorophenyl)phenol
CID 134620442
5-chloro-6-(2,3,6-trichlorophenyl)pyridin-3-ol
CID 133092526
2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyrimidine
CID 118802423
5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637033

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol (CID 133092515) is 2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol is Oc1c(-c2c(Cl)ccc(Cl)c2Cl)cc(C(F)(F)F)nc1-c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol?
The InChIKey is OZKYHMYJNQIJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6Cl6F3NO/c19-7-1-3-9(21)14(23)12(7)6-5-11(18(25,26)27)28-16(17(6)29)13-8(20)2-4-10(22)15(13)24/h1-5,29H.
What are the key properties of 2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol?
2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol has a molecular weight of 521.96 g/mol, XLogP of 9.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 133092515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).