2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine

C6H4Cl3F2N — CID 23053233

IUPAC2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine
SMILESFC(F)C1=CC=NC(Cl)C1(Cl)Cl
InChIInChI=1S/C6H4Cl3F2N/c7-5-6(8,9)3(4(10)11)1-2-12-5/h1-2,4-5H
InChIKeySKPKJHRHRNVOEX-UHFFFAOYSA-N
MW234.46 g/mol
LogP3.00
Rot. Bonds1

About 2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine

2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine (PubChem CID 23053233) has the molecular formula C6H4Cl3F2N and a molecular weight of 234.46 g/mol. Its IUPAC name is 2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine
PubChem CID23053233
Molecular FormulaC6H4Cl3F2N
Molecular Weight234.46 g/mol
Exact Mass232.94
IUPAC Name2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine
SMILESFC(F)C1=CC=NC(Cl)C1(Cl)Cl
InChIInChI=1S/C6H4Cl3F2N/c7-5-6(8,9)3(4(10)11)1-2-12-5/h1-2,4-5H
InChIKeySKPKJHRHRNVOEX-UHFFFAOYSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.46
LogP ≤ 53.00
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 2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine?
The IUPAC name of 2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine (CID 23053233) is 2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine.
What is the SMILES notation for 2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine?
The canonical SMILES for 2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine is FC(F)C1=CC=NC(Cl)C1(Cl)Cl.
What is the InChIKey of 2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine?
The InChIKey is SKPKJHRHRNVOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3F2N/c7-5-6(8,9)3(4(10)11)1-2-12-5/h1-2,4-5H.
What are the key properties of 2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine?
2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine has a molecular weight of 234.46 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trichloro-4-(difluoromethyl)-2H-pyridine is sourced from PubChem (CID 23053233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).