2,4-bis(6-chloro-3-pyridinyl)pyridine

C15H9Cl2N3 — CID 42553048

IUPAC2,4-bis(6-chloro-3-pyridinyl)pyridine
SMILESClc1ccc(-c2ccnc(-c3ccc(Cl)nc3)c2)cn1
InChIInChI=1S/C15H9Cl2N3/c16-14-3-1-11(8-19-14)10-5-6-18-13(7-10)12-2-4-15(17)20-9-12/h1-9H
InChIKeyCWMMDFDDGLQUBF-UHFFFAOYSA-N
MW302.16 g/mol
LogP4.51
Rot. Bonds2

About 2,4-bis(6-chloro-3-pyridinyl)pyridine

2,4-bis(6-chloro-3-pyridinyl)pyridine (PubChem CID 42553048) has the molecular formula C15H9Cl2N3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2,4-bis(6-chloro-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2,4-bis(6-chloro-3-pyridinyl)pyridine
PubChem CID42553048
Molecular FormulaC15H9Cl2N3
Molecular Weight302.16 g/mol
Exact Mass301.02
IUPAC Name2,4-bis(6-chloro-3-pyridinyl)pyridine
SMILESClc1ccc(-c2ccnc(-c3ccc(Cl)nc3)c2)cn1
InChIInChI=1S/C15H9Cl2N3/c16-14-3-1-11(8-19-14)10-5-6-18-13(7-10)12-2-4-15(17)20-9-12/h1-9H
InChIKeyCWMMDFDDGLQUBF-UHFFFAOYSA-N
XLogP4.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 54.51
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 2,4-bis(6-chloro-3-pyridinyl)pyridine?
The IUPAC name of 2,4-bis(6-chloro-3-pyridinyl)pyridine (CID 42553048) is 2,4-bis(6-chloro-3-pyridinyl)pyridine.
What is the SMILES notation for 2,4-bis(6-chloro-3-pyridinyl)pyridine?
The canonical SMILES for 2,4-bis(6-chloro-3-pyridinyl)pyridine is Clc1ccc(-c2ccnc(-c3ccc(Cl)nc3)c2)cn1.
What is the InChIKey of 2,4-bis(6-chloro-3-pyridinyl)pyridine?
The InChIKey is CWMMDFDDGLQUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3/c16-14-3-1-11(8-19-14)10-5-6-18-13(7-10)12-2-4-15(17)20-9-12/h1-9H.
What are the key properties of 2,4-bis(6-chloro-3-pyridinyl)pyridine?
2,4-bis(6-chloro-3-pyridinyl)pyridine has a molecular weight of 302.16 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(6-chloro-3-pyridinyl)pyridine is sourced from PubChem (CID 42553048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).