4-butyl-2,3,5,6-tetrachloropyridine

C9H9Cl4N — CID 71357980

IUPAC4-butyl-2,3,5,6-tetrachloropyridine
SMILESCCCCc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C9H9Cl4N/c1-2-3-4-5-6(10)8(12)14-9(13)7(5)11/h2-4H2,1H3
InChIKeyJYPSGYZTBIAHIY-UHFFFAOYSA-N
MW272.99 g/mol
LogP5.04
Rot. Bonds3

About 4-butyl-2,3,5,6-tetrachloropyridine

4-butyl-2,3,5,6-tetrachloropyridine (PubChem CID 71357980) has the molecular formula C9H9Cl4N and a molecular weight of 272.99 g/mol. Its IUPAC name is 4-butyl-2,3,5,6-tetrachloropyridine.

Molecular Properties

Compound Name4-butyl-2,3,5,6-tetrachloropyridine
PubChem CID71357980
Molecular FormulaC9H9Cl4N
Molecular Weight272.99 g/mol
Exact Mass270.95
IUPAC Name4-butyl-2,3,5,6-tetrachloropyridine
SMILESCCCCc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C9H9Cl4N/c1-2-3-4-5-6(10)8(12)14-9(13)7(5)11/h2-4H2,1H3
InChIKeyJYPSGYZTBIAHIY-UHFFFAOYSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.99
LogP ≤ 55.04
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 4-butyl-2,3,5,6-tetrachloropyridine?
The IUPAC name of 4-butyl-2,3,5,6-tetrachloropyridine (CID 71357980) is 4-butyl-2,3,5,6-tetrachloropyridine.
What is the SMILES notation for 4-butyl-2,3,5,6-tetrachloropyridine?
The canonical SMILES for 4-butyl-2,3,5,6-tetrachloropyridine is CCCCc1c(Cl)c(Cl)nc(Cl)c1Cl.
What is the InChIKey of 4-butyl-2,3,5,6-tetrachloropyridine?
The InChIKey is JYPSGYZTBIAHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl4N/c1-2-3-4-5-6(10)8(12)14-9(13)7(5)11/h2-4H2,1H3.
What are the key properties of 4-butyl-2,3,5,6-tetrachloropyridine?
4-butyl-2,3,5,6-tetrachloropyridine has a molecular weight of 272.99 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,3,5,6-tetrachloropyridine is sourced from PubChem (CID 71357980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).