3,5-bis(3,4,5-trichlorophenyl)pyridine

C17H7Cl6N — CID 134623434

IUPAC3,5-bis(3,4,5-trichlorophenyl)pyridine
SMILESClc1cc(-c2cncc(-c3cc(Cl)c(Cl)c(Cl)c3)c2)cc(Cl)c1Cl
InChIInChI=1S/C17H7Cl6N/c18-12-2-8(3-13(19)16(12)22)10-1-11(7-24-6-10)9-4-14(20)17(23)15(21)5-9/h1-7H
InChIKeyQETIZKWOSSAOPG-UHFFFAOYSA-N
MW437.97 g/mol
LogP8.34
Rot. Bonds2

About 3,5-bis(3,4,5-trichlorophenyl)pyridine

3,5-bis(3,4,5-trichlorophenyl)pyridine (PubChem CID 134623434) has the molecular formula C17H7Cl6N and a molecular weight of 437.97 g/mol. Its IUPAC name is 3,5-bis(3,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name3,5-bis(3,4,5-trichlorophenyl)pyridine
PubChem CID134623434
Molecular FormulaC17H7Cl6N
Molecular Weight437.97 g/mol
Exact Mass434.87
IUPAC Name3,5-bis(3,4,5-trichlorophenyl)pyridine
SMILESClc1cc(-c2cncc(-c3cc(Cl)c(Cl)c(Cl)c3)c2)cc(Cl)c1Cl
InChIInChI=1S/C17H7Cl6N/c18-12-2-8(3-13(19)16(12)22)10-1-11(7-24-6-10)9-4-14(20)17(23)15(21)5-9/h1-7H
InChIKeyQETIZKWOSSAOPG-UHFFFAOYSA-N
XLogP8.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.97
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4,5-trichlorophenyl)pyrimidin-2-amine
CID 118996100
3-chloro-5-(3,5-dichlorophenyl)pyridine
CID 133088482
3-(3,4,5-trichlorophenyl)-4,5-bis(trifluoromethyl)pyridine
CID 118850830
2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile
CID 118994258
2-fluoro-5-(3,4,5-trichlorophenyl)pyridine
CID 133089947
1,2,3-trichloro-5-(4-phenylphenyl)benzene
CID 71394428
3,4-bis(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 134635947
2-[2-chloro-5-(3,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134619751
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
2-[3-hydroxy-5-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133092375
2-chloro-4-(5-fluoro-3-pyridinyl)phenol
CID 83131119
5-(5-chloro-3-pyridinyl)pyridin-3-amine
CID 141394727

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3,4,5-trichlorophenyl)pyridine?
The IUPAC name of 3,5-bis(3,4,5-trichlorophenyl)pyridine (CID 134623434) is 3,5-bis(3,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 3,5-bis(3,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 3,5-bis(3,4,5-trichlorophenyl)pyridine is Clc1cc(-c2cncc(-c3cc(Cl)c(Cl)c(Cl)c3)c2)cc(Cl)c1Cl.
What is the InChIKey of 3,5-bis(3,4,5-trichlorophenyl)pyridine?
The InChIKey is QETIZKWOSSAOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7Cl6N/c18-12-2-8(3-13(19)16(12)22)10-1-11(7-24-6-10)9-4-14(20)17(23)15(21)5-9/h1-7H.
What are the key properties of 3,5-bis(3,4,5-trichlorophenyl)pyridine?
3,5-bis(3,4,5-trichlorophenyl)pyridine has a molecular weight of 437.97 g/mol, XLogP of 8.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134623434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).