4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine

C15H8Cl3N3 — CID 58781432

IUPAC4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine
SMILESClc1ccnc(-c2cc(Cl)cc(-c3cc(Cl)ccn3)n2)c1
InChIInChI=1S/C15H8Cl3N3/c16-9-1-3-19-12(5-9)14-7-11(18)8-15(21-14)13-6-10(17)2-4-20-13/h1-8H
InChIKeyQCBDNDDAQITXSV-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.17
Rot. Bonds2

About 4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine

4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine (PubChem CID 58781432) has the molecular formula C15H8Cl3N3 and a molecular weight of 336.61 g/mol. Its IUPAC name is 4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine
PubChem CID58781432
Molecular FormulaC15H8Cl3N3
Molecular Weight336.61 g/mol
Exact Mass334.98
IUPAC Name4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine
SMILESClc1ccnc(-c2cc(Cl)cc(-c3cc(Cl)ccn3)n2)c1
InChIInChI=1S/C15H8Cl3N3/c16-9-1-3-19-12(5-9)14-7-11(18)8-15(21-14)13-6-10(17)2-4-20-13/h1-8H
InChIKeyQCBDNDDAQITXSV-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine?
The IUPAC name of 4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine (CID 58781432) is 4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine.
What is the SMILES notation for 4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine?
The canonical SMILES for 4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine is Clc1ccnc(-c2cc(Cl)cc(-c3cc(Cl)ccn3)n2)c1.
What is the InChIKey of 4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine?
The InChIKey is QCBDNDDAQITXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3N3/c16-9-1-3-19-12(5-9)14-7-11(18)8-15(21-14)13-6-10(17)2-4-20-13/h1-8H.
What are the key properties of 4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine?
4-chloro-2,6-bis(4-chloro-2-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 4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine is sourced from PubChem (CID 58781432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).