2,4,5-tris(2,4,5-trichlorophenyl)pyridine

C23H8Cl9N — CID 134637766

IUPAC2,4,5-tris(2,4,5-trichlorophenyl)pyridine
SMILESClc1cc(Cl)c(-c2cc(-c3cc(Cl)c(Cl)cc3Cl)c(-c3cc(Cl)c(Cl)cc3Cl)cn2)cc1Cl
InChIInChI=1S/C23H8Cl9N/c24-14-5-20(30)17(27)1-10(14)9-4-23(12-3-19(29)22(32)7-16(12)26)33-8-13(9)11-2-18(28)21(31)6-15(11)25/h1-8H
InChIKeyXSLPASSWPUUONO-UHFFFAOYSA-N
MW617.40 g/mol
LogP11.96
Rot. Bonds3

About 2,4,5-tris(2,4,5-trichlorophenyl)pyridine

2,4,5-tris(2,4,5-trichlorophenyl)pyridine (PubChem CID 134637766) has the molecular formula C23H8Cl9N and a molecular weight of 617.40 g/mol. Its IUPAC name is 2,4,5-tris(2,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name2,4,5-tris(2,4,5-trichlorophenyl)pyridine
PubChem CID134637766
Molecular FormulaC23H8Cl9N
Molecular Weight617.40 g/mol
Exact Mass612.79
IUPAC Name2,4,5-tris(2,4,5-trichlorophenyl)pyridine
SMILESClc1cc(Cl)c(-c2cc(-c3cc(Cl)c(Cl)cc3Cl)c(-c3cc(Cl)c(Cl)cc3Cl)cn2)cc1Cl
InChIInChI=1S/C23H8Cl9N/c24-14-5-20(30)17(27)1-10(14)9-4-23(12-3-19(29)22(32)7-16(12)26)33-8-13(9)11-2-18(28)21(31)6-15(11)25/h1-8H
InChIKeyXSLPASSWPUUONO-UHFFFAOYSA-N
XLogP11.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.40
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2,4,5-trichlorophenyl)pyridine
CID 134629473
2-chloro-4-iodo-5-(2,4,5-trichlorophenyl)pyridine
CID 119013818
5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
CID 133088789
2-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118808083
2,5-bis(2,5-dichlorophenyl)pyridin-4-amine
CID 118806618
5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine
CID 133088609
3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine
CID 134623724
[3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134623378
2-fluoro-3-(2,4,5-trichlorophenyl)pyridine
CID 133088815
3-(2,4,5-trichlorophenyl)pyridin-2-amine
CID 119020095
5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine
CID 134629812
2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine
CID 133086502

Frequently Asked Questions

What is the IUPAC name of 2,4,5-tris(2,4,5-trichlorophenyl)pyridine?
The IUPAC name of 2,4,5-tris(2,4,5-trichlorophenyl)pyridine (CID 134637766) is 2,4,5-tris(2,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 2,4,5-tris(2,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 2,4,5-tris(2,4,5-trichlorophenyl)pyridine is Clc1cc(Cl)c(-c2cc(-c3cc(Cl)c(Cl)cc3Cl)c(-c3cc(Cl)c(Cl)cc3Cl)cn2)cc1Cl.
What is the InChIKey of 2,4,5-tris(2,4,5-trichlorophenyl)pyridine?
The InChIKey is XSLPASSWPUUONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H8Cl9N/c24-14-5-20(30)17(27)1-10(14)9-4-23(12-3-19(29)22(32)7-16(12)26)33-8-13(9)11-2-18(28)21(31)6-15(11)25/h1-8H.
What are the key properties of 2,4,5-tris(2,4,5-trichlorophenyl)pyridine?
2,4,5-tris(2,4,5-trichlorophenyl)pyridine has a molecular weight of 617.40 g/mol, XLogP of 11.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris(2,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134637766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).