2,3,4,6-tetrachloro-5-methylpyridine

C6H3Cl4N — CID 4581101

IUPAC2,3,4,6-tetrachloro-5-methylpyridine
SMILESCc1c(Cl)nc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl4N/c1-2-3(7)4(8)6(10)11-5(2)9/h1H3
InChIKeyIMIBKQCOPJJMBT-UHFFFAOYSA-N
MW230.91 g/mol
LogP4.00
Rot. Bonds

About 2,3,4,6-tetrachloro-5-methylpyridine

2,3,4,6-tetrachloro-5-methylpyridine (PubChem CID 4581101) has the molecular formula C6H3Cl4N and a molecular weight of 230.91 g/mol. Its IUPAC name is 2,3,4,6-tetrachloro-5-methylpyridine.

Molecular Properties

Compound Name2,3,4,6-tetrachloro-5-methylpyridine
PubChem CID4581101
Molecular FormulaC6H3Cl4N
Molecular Weight230.91 g/mol
Exact Mass228.90
IUPAC Name2,3,4,6-tetrachloro-5-methylpyridine
SMILESCc1c(Cl)nc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl4N/c1-2-3(7)4(8)6(10)11-5(2)9/h1H3
InChIKeyIMIBKQCOPJJMBT-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.91
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrachloro-5-methylpyridine?
The IUPAC name of 2,3,4,6-tetrachloro-5-methylpyridine (CID 4581101) is 2,3,4,6-tetrachloro-5-methylpyridine.
What is the SMILES notation for 2,3,4,6-tetrachloro-5-methylpyridine?
The canonical SMILES for 2,3,4,6-tetrachloro-5-methylpyridine is Cc1c(Cl)nc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,6-tetrachloro-5-methylpyridine?
The InChIKey is IMIBKQCOPJJMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl4N/c1-2-3(7)4(8)6(10)11-5(2)9/h1H3.
What are the key properties of 2,3,4,6-tetrachloro-5-methylpyridine?
2,3,4,6-tetrachloro-5-methylpyridine has a molecular weight of 230.91 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrachloro-5-methylpyridine is sourced from PubChem (CID 4581101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).