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

C6H4Cl4N2 — CID 4237653

IUPAC2,3,5,6-tetrachloro-N-methylpyridin-4-amine
SMILESCNc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6H4Cl4N2/c1-11-4-2(7)5(9)12-6(10)3(4)8/h1H3,(H,11,12)
InChIKeySTSHAWLHCUUMNK-UHFFFAOYSA-N
MW245.92 g/mol
LogP3.74
Rot. Bonds1

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

2,3,5,6-tetrachloro-N-methylpyridin-4-amine (PubChem CID 4237653) has the molecular formula C6H4Cl4N2 and a molecular weight of 245.92 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-N-methylpyridin-4-amine
PubChem CID4237653
Molecular FormulaC6H4Cl4N2
Molecular Weight245.92 g/mol
Exact Mass243.91
IUPAC Name2,3,5,6-tetrachloro-N-methylpyridin-4-amine
SMILESCNc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6H4Cl4N2/c1-11-4-2(7)5(9)12-6(10)3(4)8/h1H3,(H,11,12)
InChIKeySTSHAWLHCUUMNK-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.92
LogP ≤ 53.74
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-methylpyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrachloro-N-methylpyridin-4-amine (CID 4237653) is 2,3,5,6-tetrachloro-N-methylpyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrachloro-N-methylpyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrachloro-N-methylpyridin-4-amine is CNc1c(Cl)c(Cl)nc(Cl)c1Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-N-methylpyridin-4-amine?
The InChIKey is STSHAWLHCUUMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl4N2/c1-11-4-2(7)5(9)12-6(10)3(4)8/h1H3,(H,11,12).
What are the key properties of 2,3,5,6-tetrachloro-N-methylpyridin-4-amine?
2,3,5,6-tetrachloro-N-methylpyridin-4-amine has a molecular weight of 245.92 g/mol, XLogP of 3.74, 1 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-methylpyridin-4-amine is sourced from PubChem (CID 4237653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).