2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine

C15H8Cl3N3 — CID 90690382

IUPAC2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine
SMILESClc1cncc(-c2cc(-c3cnccc3Cl)cc(Cl)n2)c1
InChIInChI=1S/C15H8Cl3N3/c16-11-3-10(6-20-7-11)14-4-9(5-15(18)21-14)12-8-19-2-1-13(12)17/h1-8H
InChIKeyLZEMGVVGVDVASQ-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.17
Rot. Bonds2

About 2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine

2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine (PubChem CID 90690382) has the molecular formula C15H8Cl3N3 and a molecular weight of 336.61 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine
PubChem CID90690382
Molecular FormulaC15H8Cl3N3
Molecular Weight336.61 g/mol
Exact Mass334.98
IUPAC Name2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine
SMILESClc1cncc(-c2cc(-c3cnccc3Cl)cc(Cl)n2)c1
InChIInChI=1S/C15H8Cl3N3/c16-11-3-10(6-20-7-11)14-4-9(5-15(18)21-14)12-8-19-2-1-13(12)17/h1-8H
InChIKeyLZEMGVVGVDVASQ-UHFFFAOYSA-N
XLogP5.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine?
The IUPAC name of 2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine (CID 90690382) is 2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine.
What is the SMILES notation for 2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine?
The canonical SMILES for 2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine is Clc1cncc(-c2cc(-c3cnccc3Cl)cc(Cl)n2)c1.
What is the InChIKey of 2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine?
The InChIKey is LZEMGVVGVDVASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3N3/c16-11-3-10(6-20-7-11)14-4-9(5-15(18)21-14)12-8-19-2-1-13(12)17/h1-8H.
What are the key properties of 2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine?
2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine has a molecular weight of 336.61 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-3-pyridinyl)-6-(5-chloro-3-pyridinyl)pyridine is sourced from PubChem (CID 90690382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).