2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine

C13H8IN5 — CID 149308070

IUPAC2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine
SMILESIc1nc(-c2ccncc2)nc(-c2ccncc2)n1
InChIInChI=1S/C13H8IN5/c14-13-18-11(9-1-5-15-6-2-9)17-12(19-13)10-3-7-16-8-4-10/h1-8H
InChIKeyXYBLHFWWGSPMKG-UHFFFAOYSA-N
MW361.15 g/mol
LogP2.60
Rot. Bonds2

About 2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine

2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine (PubChem CID 149308070) has the molecular formula C13H8IN5 and a molecular weight of 361.15 g/mol. Its IUPAC name is 2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine
PubChem CID149308070
Molecular FormulaC13H8IN5
Molecular Weight361.15 g/mol
Exact Mass360.98
IUPAC Name2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine
SMILESIc1nc(-c2ccncc2)nc(-c2ccncc2)n1
InChIInChI=1S/C13H8IN5/c14-13-18-11(9-1-5-15-6-2-9)17-12(19-13)10-3-7-16-8-4-10/h1-8H
InChIKeyXYBLHFWWGSPMKG-UHFFFAOYSA-N
XLogP2.60
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.15
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine
CID 118196223
2-pyridin-2-yl-4-pyridin-4-yl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 144765683
2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
CID 102332851
2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765773
2,4-dipyridin-2-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765788
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 13339933
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 139144277
2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine
CID 122427629
2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 142751330

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine?
The IUPAC name of 2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine (CID 149308070) is 2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine?
The canonical SMILES for 2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine is Ic1nc(-c2ccncc2)nc(-c2ccncc2)n1.
What is the InChIKey of 2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine?
The InChIKey is XYBLHFWWGSPMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8IN5/c14-13-18-11(9-1-5-15-6-2-9)17-12(19-13)10-3-7-16-8-4-10/h1-8H.
What are the key properties of 2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine?
2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine has a molecular weight of 361.15 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine is sourced from PubChem (CID 149308070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).