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

C12H5Cl3F3NO — CID 133092449

IUPAC4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol
SMILESOc1c(-c2c(Cl)cc(Cl)cc2Cl)ccnc1C(F)(F)F
InChIInChI=1S/C12H5Cl3F3NO/c13-5-3-7(14)9(8(15)4-5)6-1-2-19-11(10(6)20)12(16,17)18/h1-4,20H
InChIKeyKYTIWBXVJZACAC-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.43
Rot. Bonds1

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

4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol (PubChem CID 133092449) has the molecular formula C12H5Cl3F3NO and a molecular weight of 342.53 g/mol. Its IUPAC name is 4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol
PubChem CID133092449
Molecular FormulaC12H5Cl3F3NO
Molecular Weight342.53 g/mol
Exact Mass340.94
IUPAC Name4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol
SMILESOc1c(-c2c(Cl)cc(Cl)cc2Cl)ccnc1C(F)(F)F
InChIInChI=1S/C12H5Cl3F3NO/c13-5-3-7(14)9(8(15)4-5)6-1-2-19-11(10(6)20)12(16,17)18/h1-4,20H
InChIKeyKYTIWBXVJZACAC-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

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Related Compounds

3-fluoro-4-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 133090078
3-iodo-4-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 134626966
2,3-dichloro-4-(2,4,6-trichlorophenyl)pyridine
CID 134636139
3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636130
3-hydroxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 15105945
3-chloro-2-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)pyridine
CID 134636127
4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 118822370
2-fluoro-4-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134637677
2-[3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134621276
4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134636380
4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637886
3-hydroxy-2-(trifluoromethyl)pyridine-4-carboxamide
CID 131093566

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol (CID 133092449) is 4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol is Oc1c(-c2c(Cl)cc(Cl)cc2Cl)ccnc1C(F)(F)F.
What is the InChIKey of 4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol?
The InChIKey is KYTIWBXVJZACAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3NO/c13-5-3-7(14)9(8(15)4-5)6-1-2-19-11(10(6)20)12(16,17)18/h1-4,20H.
What are the key properties of 4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol?
4-(2,4,6-trichlorophenyl)-2-(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 4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 133092449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).