2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine

C24HCl15F3N — CID 134630482

IUPAC2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)n1
InChIInChI=1S/C24HCl15F3N/c25-8-5(9(26)15(32)20(37)14(8)31)2-1-3(24(40,41)42)43-23(7-12(29)18(35)22(39)19(36)13(7)30)4(2)6-10(27)16(33)21(38)17(34)11(6)28/h1H
InChIKeyDOJFKNDCPKPTIJ-UHFFFAOYSA-N
MW892.07 g/mol
LogP16.90
Rot. Bonds3

About 2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine

2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine (PubChem CID 134630482) has the molecular formula C24HCl15F3N and a molecular weight of 892.07 g/mol. Its IUPAC name is 2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
PubChem CID134630482
Molecular FormulaC24HCl15F3N
Molecular Weight892.07 g/mol
Exact Mass884.54
IUPAC Name2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)n1
InChIInChI=1S/C24HCl15F3N/c25-8-5(9(26)15(32)20(37)14(8)31)2-1-3(24(40,41)42)43-23(7-12(29)18(35)22(39)19(36)13(7)30)4(2)6-10(27)16(33)21(38)17(34)11(6)28/h1H
InChIKeyDOJFKNDCPKPTIJ-UHFFFAOYSA-N
XLogP16.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.07
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 133089927
2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 118993970
2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 134624047
2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol
CID 133092515
2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 133086465
4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134637430
2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134637270
3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636331
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134620759
3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 133090076
3-chloro-2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636029
4-chloro-2-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 118839102

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine (CID 134630482) is 2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine is FC(F)(F)c1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)n1.
What is the InChIKey of 2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine?
The InChIKey is DOJFKNDCPKPTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24HCl15F3N/c25-8-5(9(26)15(32)20(37)14(8)31)2-1-3(24(40,41)42)43-23(7-12(29)18(35)22(39)19(36)13(7)30)4(2)6-10(27)16(33)21(38)17(34)11(6)28/h1H.
What are the key properties of 2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine?
2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine has a molecular weight of 892.07 g/mol, XLogP of 16.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134630482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).