2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine

C8H4Cl2N4 — CID 20763612

IUPAC2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine
SMILESClc1cccc(-c2ncnc(Cl)n2)n1
InChIInChI=1S/C8H4Cl2N4/c9-6-3-1-2-5(13-6)7-11-4-12-8(10)14-7/h1-4H
InChIKeyVPSULDRMIVDAMF-UHFFFAOYSA-N
MW227.05 g/mol
LogP2.24
Rot. Bonds1

About 2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine

2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine (PubChem CID 20763612) has the molecular formula C8H4Cl2N4 and a molecular weight of 227.05 g/mol. Its IUPAC name is 2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine
PubChem CID20763612
Molecular FormulaC8H4Cl2N4
Molecular Weight227.05 g/mol
Exact Mass225.98
IUPAC Name2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine
SMILESClc1cccc(-c2ncnc(Cl)n2)n1
InChIInChI=1S/C8H4Cl2N4/c9-6-3-1-2-5(13-6)7-11-4-12-8(10)14-7/h1-4H
InChIKeyVPSULDRMIVDAMF-UHFFFAOYSA-N
XLogP2.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.05
LogP ≤ 52.24
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 2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine (CID 20763612) is 2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine is Clc1cccc(-c2ncnc(Cl)n2)n1.
What is the InChIKey of 2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine?
The InChIKey is VPSULDRMIVDAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N4/c9-6-3-1-2-5(13-6)7-11-4-12-8(10)14-7/h1-4H.
What are the key properties of 2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine?
2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine has a molecular weight of 227.05 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-chloro-2-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 20763612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).