2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine

C10H2Cl6N2 — CID 14044309

IUPAC2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine
SMILESClc1cc(-c2cc(Cl)nc(Cl)c2Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C10H2Cl6N2/c11-5-1-3(7(13)9(15)17-5)4-2-6(12)18-10(16)8(4)14/h1-2H
InChIKeyPRYYAXKRCJWXRH-UHFFFAOYSA-N
MW362.86 g/mol
LogP6.06
Rot. Bonds1

About 2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine

2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine (PubChem CID 14044309) has the molecular formula C10H2Cl6N2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine.

Molecular Properties

Compound Name2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine
PubChem CID14044309
Molecular FormulaC10H2Cl6N2
Molecular Weight362.86 g/mol
Exact Mass359.83
IUPAC Name2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine
SMILESClc1cc(-c2cc(Cl)nc(Cl)c2Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C10H2Cl6N2/c11-5-1-3(7(13)9(15)17-5)4-2-6(12)18-10(16)8(4)14/h1-2H
InChIKeyPRYYAXKRCJWXRH-UHFFFAOYSA-N
XLogP6.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 56.06
H-Bond Donors ≤ 50
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 2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine?
The IUPAC name of 2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine (CID 14044309) is 2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine.
What is the SMILES notation for 2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine?
The canonical SMILES for 2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine is Clc1cc(-c2cc(Cl)nc(Cl)c2Cl)c(Cl)c(Cl)n1.
What is the InChIKey of 2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine?
The InChIKey is PRYYAXKRCJWXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2Cl6N2/c11-5-1-3(7(13)9(15)17-5)4-2-6(12)18-10(16)8(4)14/h1-2H.
What are the key properties of 2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine?
2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine has a molecular weight of 362.86 g/mol, XLogP of 6.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine is sourced from PubChem (CID 14044309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).