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

C13H10Cl3N — CID 118991314

IUPAC2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine
SMILESCc1ccnc(C)c1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl3N/c1-7-3-4-17-8(2)12(7)9-5-10(14)13(16)11(15)6-9/h3-6H,1-2H3
InChIKeyHSTGLKZATSCDJN-UHFFFAOYSA-N
MW286.59 g/mol
LogP5.33
Rot. Bonds1

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

2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine (PubChem CID 118991314) has the molecular formula C13H10Cl3N and a molecular weight of 286.59 g/mol. Its IUPAC name is 2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine
PubChem CID118991314
Molecular FormulaC13H10Cl3N
Molecular Weight286.59 g/mol
Exact Mass284.99
IUPAC Name2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine
SMILESCc1ccnc(C)c1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl3N/c1-7-3-4-17-8(2)12(7)9-5-10(14)13(16)11(15)6-9/h3-6H,1-2H3
InChIKeyHSTGLKZATSCDJN-UHFFFAOYSA-N
XLogP5.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 55.33
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

2,4-dimethyl-3-pyridin-4-ylpyridine
CID 90999658
3-chloro-2,4-dimethylpyridine
CID 12508368
4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637886
2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile
CID 119021726
4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 118822370
3-chloro-2-methylpyridin-4-amine
CID 13419573
4-chloro-3-(3-fluorophenyl)-2-methylpyridine
CID 165448690
5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 82298713
2-methyl-4-(2,3,4,6-tetrachlorophenyl)aniline
CID 105349937
2,3-dichloro-4-methylpyridine
CID 18930251
4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol
CID 133092564
4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine
CID 102821923

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine?
The IUPAC name of 2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine (CID 118991314) is 2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine is Cc1ccnc(C)c1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine?
The InChIKey is HSTGLKZATSCDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N/c1-7-3-4-17-8(2)12(7)9-5-10(14)13(16)11(15)6-9/h3-6H,1-2H3.
What are the key properties of 2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine?
2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine has a molecular weight of 286.59 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 118991314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).