4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride

C13H8Cl2F5NO2 — CID 57281902

IUPAC4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)Cl)c1C1CCC1
InChIInChI=1S/C13H8Cl2F5NO2/c14-10(22)6-5(4-2-1-3-4)7(11(15)23)9(13(18,19)20)21-8(6)12(16)17/h4,12H,1-3H2
InChIKeyAUOFFOXFNXRGAL-UHFFFAOYSA-N
MW376.11 g/mol
LogP5.06
Rot. Bonds4

About 4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride

4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride (PubChem CID 57281902) has the molecular formula C13H8Cl2F5NO2 and a molecular weight of 376.11 g/mol. Its IUPAC name is 4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride.

Molecular Properties

Compound Name4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride
PubChem CID57281902
Molecular FormulaC13H8Cl2F5NO2
Molecular Weight376.11 g/mol
Exact Mass374.99
IUPAC Name4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)Cl)c1C1CCC1
InChIInChI=1S/C13H8Cl2F5NO2/c14-10(22)6-5(4-2-1-3-4)7(11(15)23)9(13(18,19)20)21-8(6)12(16)17/h4,12H,1-3H2
InChIKeyAUOFFOXFNXRGAL-UHFFFAOYSA-N
XLogP5.06
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.11
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride?
The IUPAC name of 4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride (CID 57281902) is 4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride.
What is the SMILES notation for 4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride?
The canonical SMILES for 4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride is O=C(Cl)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)Cl)c1C1CCC1.
What is the InChIKey of 4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride?
The InChIKey is AUOFFOXFNXRGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F5NO2/c14-10(22)6-5(4-2-1-3-4)7(11(15)23)9(13(18,19)20)21-8(6)12(16)17/h4,12H,1-3H2.
What are the key properties of 4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride?
4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride has a molecular weight of 376.11 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3,5-dicarbonyl chloride is sourced from PubChem (CID 57281902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).