2,3,5,6-tetrachloro-N-propylpyridin-4-amine

C8H8Cl4N2 — CID 14965129

IUPAC2,3,5,6-tetrachloro-N-propylpyridin-4-amine
SMILESCCCNc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C8H8Cl4N2/c1-2-3-13-6-4(9)7(11)14-8(12)5(6)10/h2-3H2,1H3,(H,13,14)
InChIKeyZGVKPKFBSIOJLJ-UHFFFAOYSA-N
MW273.98 g/mol
LogP4.52
Rot. Bonds3

About 2,3,5,6-tetrachloro-N-propylpyridin-4-amine

2,3,5,6-tetrachloro-N-propylpyridin-4-amine (PubChem CID 14965129) has the molecular formula C8H8Cl4N2 and a molecular weight of 273.98 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-N-propylpyridin-4-amine
PubChem CID14965129
Molecular FormulaC8H8Cl4N2
Molecular Weight273.98 g/mol
Exact Mass271.94
IUPAC Name2,3,5,6-tetrachloro-N-propylpyridin-4-amine
SMILESCCCNc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C8H8Cl4N2/c1-2-3-13-6-4(9)7(11)14-8(12)5(6)10/h2-3H2,1H3,(H,13,14)
InChIKeyZGVKPKFBSIOJLJ-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.98
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,3,5,6-tetrachloro-N-propylpyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrachloro-N-propylpyridin-4-amine (CID 14965129) is 2,3,5,6-tetrachloro-N-propylpyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrachloro-N-propylpyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrachloro-N-propylpyridin-4-amine is CCCNc1c(Cl)c(Cl)nc(Cl)c1Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-N-propylpyridin-4-amine?
The InChIKey is ZGVKPKFBSIOJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl4N2/c1-2-3-13-6-4(9)7(11)14-8(12)5(6)10/h2-3H2,1H3,(H,13,14).
What are the key properties of 2,3,5,6-tetrachloro-N-propylpyridin-4-amine?
2,3,5,6-tetrachloro-N-propylpyridin-4-amine has a molecular weight of 273.98 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrachloro-N-propylpyridin-4-amine is sourced from PubChem (CID 14965129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).