2,4,6-trichloro-2-methyl-3H-pyridine

C6H6Cl3N — CID 66806461

IUPAC2,4,6-trichloro-2-methyl-3H-pyridine
SMILESCC1(Cl)CC(Cl)=CC(Cl)=N1
InChIInChI=1S/C6H6Cl3N/c1-6(9)3-4(7)2-5(8)10-6/h2H,3H2,1H3
InChIKeyCDLQOUXXWLTPAP-UHFFFAOYSA-N
MW198.48 g/mol
LogP3.11
Rot. Bonds

About 2,4,6-trichloro-2-methyl-3H-pyridine

2,4,6-trichloro-2-methyl-3H-pyridine (PubChem CID 66806461) has the molecular formula C6H6Cl3N and a molecular weight of 198.48 g/mol. Its IUPAC name is 2,4,6-trichloro-2-methyl-3H-pyridine.

Molecular Properties

Compound Name2,4,6-trichloro-2-methyl-3H-pyridine
PubChem CID66806461
Molecular FormulaC6H6Cl3N
Molecular Weight198.48 g/mol
Exact Mass196.96
IUPAC Name2,4,6-trichloro-2-methyl-3H-pyridine
SMILESCC1(Cl)CC(Cl)=CC(Cl)=N1
InChIInChI=1S/C6H6Cl3N/c1-6(9)3-4(7)2-5(8)10-6/h2H,3H2,1H3
InChIKeyCDLQOUXXWLTPAP-UHFFFAOYSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-2-methyl-3H-pyridine?
The IUPAC name of 2,4,6-trichloro-2-methyl-3H-pyridine (CID 66806461) is 2,4,6-trichloro-2-methyl-3H-pyridine.
What is the SMILES notation for 2,4,6-trichloro-2-methyl-3H-pyridine?
The canonical SMILES for 2,4,6-trichloro-2-methyl-3H-pyridine is CC1(Cl)CC(Cl)=CC(Cl)=N1.
What is the InChIKey of 2,4,6-trichloro-2-methyl-3H-pyridine?
The InChIKey is CDLQOUXXWLTPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl3N/c1-6(9)3-4(7)2-5(8)10-6/h2H,3H2,1H3.
What are the key properties of 2,4,6-trichloro-2-methyl-3H-pyridine?
2,4,6-trichloro-2-methyl-3H-pyridine has a molecular weight of 198.48 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-2-methyl-3H-pyridine is sourced from PubChem (CID 66806461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).