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

C18H9F3N6 — CID 156681920

IUPAC2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine
SMILESFc1cc(-c2nc(-c3ccnc(F)c3)nc(-c3ccnc(F)c3)n2)ccn1
InChIInChI=1S/C18H9F3N6/c19-13-7-10(1-4-22-13)16-25-17(11-2-5-23-14(20)8-11)27-18(26-16)12-3-6-24-15(21)9-12/h1-9H
InChIKeyCBFLVAIDCOLHKY-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.47
Rot. Bonds3

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

2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine (PubChem CID 156681920) has the molecular formula C18H9F3N6 and a molecular weight of 366.31 g/mol. Its IUPAC name is 2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine
PubChem CID156681920
Molecular FormulaC18H9F3N6
Molecular Weight366.31 g/mol
Exact Mass366.08
IUPAC Name2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine
SMILESFc1cc(-c2nc(-c3ccnc(F)c3)nc(-c3ccnc(F)c3)n2)ccn1
InChIInChI=1S/C18H9F3N6/c19-13-7-10(1-4-22-13)16-25-17(11-2-5-23-14(20)8-11)27-18(26-16)12-3-6-24-15(21)9-12/h1-9H
InChIKeyCBFLVAIDCOLHKY-UHFFFAOYSA-N
XLogP3.47
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine (CID 156681920) is 2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine is Fc1cc(-c2nc(-c3ccnc(F)c3)nc(-c3ccnc(F)c3)n2)ccn1.
What is the InChIKey of 2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine?
The InChIKey is CBFLVAIDCOLHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F3N6/c19-13-7-10(1-4-22-13)16-25-17(11-2-5-23-14(20)8-11)27-18(26-16)12-3-6-24-15(21)9-12/h1-9H.
What are the key properties of 2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine?
2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine has a molecular weight of 366.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2-fluoro-4-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 156681920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).