2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine

C13H8Cl5N — CID 134618418

IUPAC2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESCc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(C)n1
InChIInChI=1S/C13H8Cl5N/c1-5-3-7(4-6(2)19-5)8-9(14)11(16)13(18)12(17)10(8)15/h3-4H,1-2H3
InChIKeyYBFIRRMOVVRYHB-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.63
Rot. Bonds1

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

2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine (PubChem CID 134618418) has the molecular formula C13H8Cl5N and a molecular weight of 355.48 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine
PubChem CID134618418
Molecular FormulaC13H8Cl5N
Molecular Weight355.48 g/mol
Exact Mass352.91
IUPAC Name2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESCc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(C)n1
InChIInChI=1S/C13H8Cl5N/c1-5-3-7(4-6(2)19-5)8-9(14)11(16)13(18)12(17)10(8)15/h3-4H,1-2H3
InChIKeyYBFIRRMOVVRYHB-UHFFFAOYSA-N
XLogP6.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.63
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

2,6-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)pyridine
CID 157163844
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine
CID 107502259
2,6-dimethyl-4-(4-propan-2-ylphenyl)pyridine
CID 176864859
2-chloro-4,6-dimethylpyrimidine
CID 20550
2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 133089961
5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine
CID 107504527
sulfane;2,4,6-trimethylpyridine
CID 69294176
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine
CID 107502262
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine
CID 107502289
2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine
CID 101475098
3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole
CID 151121692
2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
CID 20517022

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
The IUPAC name of 2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine (CID 134618418) is 2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine.
What is the SMILES notation for 2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
The canonical SMILES for 2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine is Cc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
The InChIKey is YBFIRRMOVVRYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl5N/c1-5-3-7(4-6(2)19-5)8-9(14)11(16)13(18)12(17)10(8)15/h3-4H,1-2H3.
What are the key properties of 2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine has a molecular weight of 355.48 g/mol, XLogP of 6.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine is sourced from PubChem (CID 134618418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).