3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine

C11H4Cl5N — CID 134623724

IUPAC3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine
SMILESClc1cc(Cl)c(-c2c(Cl)cncc2Cl)cc1Cl
InChIInChI=1S/C11H4Cl5N/c12-6-2-8(14)7(13)1-5(6)11-9(15)3-17-4-10(11)16/h1-4H
InChIKeySHJQOYTYKGEXKA-UHFFFAOYSA-N
MW327.43 g/mol
LogP6.02
Rot. Bonds1

About 3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine

3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine (PubChem CID 134623724) has the molecular formula C11H4Cl5N and a molecular weight of 327.43 g/mol. Its IUPAC name is 3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine
PubChem CID134623724
Molecular FormulaC11H4Cl5N
Molecular Weight327.43 g/mol
Exact Mass324.88
IUPAC Name3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine
SMILESClc1cc(Cl)c(-c2c(Cl)cncc2Cl)cc1Cl
InChIInChI=1S/C11H4Cl5N/c12-6-2-8(14)7(13)1-5(6)11-9(15)3-17-4-10(11)16/h1-4H
InChIKeySHJQOYTYKGEXKA-UHFFFAOYSA-N
XLogP6.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 56.02
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

3-iodo-5-(2,4,5-trichlorophenyl)pyridine
CID 134637718
1,2,4,5-tetrachloro-3-(2,3,4,6-tetrachlorophenyl)-6-(2,4,5-trichlorophenyl)benzene
CID 25472
2,3,5,6-tetrachloro-4-(3,4,6-trichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
CID 71749066
2,4,5-tris(2,4,5-trichlorophenyl)pyridine
CID 134637766
5-chloro-2-(2,4,5-trichlorophenyl)pyridine
CID 134629473
3-chloro-4-(3,5-dichlorophenyl)-5-fluoropyridine
CID 133090699
2-chloro-4-iodo-5-(2,4,5-trichlorophenyl)pyridine
CID 119013818
3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile
CID 134635786
4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134627378
4-chloro-3-(2,4,6-trichlorophenyl)pyridine
CID 134636075
5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine
CID 133088609
5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine
CID 134629812

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine?
The IUPAC name of 3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine (CID 134623724) is 3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine is Clc1cc(Cl)c(-c2c(Cl)cncc2Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine?
The InChIKey is SHJQOYTYKGEXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl5N/c12-6-2-8(14)7(13)1-5(6)11-9(15)3-17-4-10(11)16/h1-4H.
What are the key properties of 3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine?
3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine has a molecular weight of 327.43 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134623724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).