4,6-bis(6-chloro-3-pyridinyl)pyrimidine

C14H8Cl2N4 — CID 11208882

IUPAC4,6-bis(6-chloro-3-pyridinyl)pyrimidine
SMILESClc1ccc(-c2cc(-c3ccc(Cl)nc3)ncn2)cn1
InChIInChI=1S/C14H8Cl2N4/c15-13-3-1-9(6-17-13)11-5-12(20-8-19-11)10-2-4-14(16)18-7-10/h1-8H
InChIKeyLZQHIMZOUQOBKU-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.91
Rot. Bonds2

About 4,6-bis(6-chloro-3-pyridinyl)pyrimidine

4,6-bis(6-chloro-3-pyridinyl)pyrimidine (PubChem CID 11208882) has the molecular formula C14H8Cl2N4 and a molecular weight of 303.15 g/mol. Its IUPAC name is 4,6-bis(6-chloro-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4,6-bis(6-chloro-3-pyridinyl)pyrimidine
PubChem CID11208882
Molecular FormulaC14H8Cl2N4
Molecular Weight303.15 g/mol
Exact Mass302.01
IUPAC Name4,6-bis(6-chloro-3-pyridinyl)pyrimidine
SMILESClc1ccc(-c2cc(-c3ccc(Cl)nc3)ncn2)cn1
InChIInChI=1S/C14H8Cl2N4/c15-13-3-1-9(6-17-13)11-5-12(20-8-19-11)10-2-4-14(16)18-7-10/h1-8H
InChIKeyLZQHIMZOUQOBKU-UHFFFAOYSA-N
XLogP3.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4,6-bis(6-chloro-3-pyridinyl)pyrimidine?
The IUPAC name of 4,6-bis(6-chloro-3-pyridinyl)pyrimidine (CID 11208882) is 4,6-bis(6-chloro-3-pyridinyl)pyrimidine.
What is the SMILES notation for 4,6-bis(6-chloro-3-pyridinyl)pyrimidine?
The canonical SMILES for 4,6-bis(6-chloro-3-pyridinyl)pyrimidine is Clc1ccc(-c2cc(-c3ccc(Cl)nc3)ncn2)cn1.
What is the InChIKey of 4,6-bis(6-chloro-3-pyridinyl)pyrimidine?
The InChIKey is LZQHIMZOUQOBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4/c15-13-3-1-9(6-17-13)11-5-12(20-8-19-11)10-2-4-14(16)18-7-10/h1-8H.
What are the key properties of 4,6-bis(6-chloro-3-pyridinyl)pyrimidine?
4,6-bis(6-chloro-3-pyridinyl)pyrimidine has a molecular weight of 303.15 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(6-chloro-3-pyridinyl)pyrimidine is sourced from PubChem (CID 11208882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).