tris(6-chloro-2-pyridinyl) phosphite

C15H9Cl3N3O3P — CID 122395676

IUPACtris(6-chloro-2-pyridinyl) phosphite
SMILESClc1cccc(OP(Oc2cccc(Cl)n2)Oc2cccc(Cl)n2)n1
InChIInChI=1S/C15H9Cl3N3O3P/c16-10-4-1-7-13(19-10)22-25(23-14-8-2-5-11(17)20-14)24-15-9-3-6-12(18)21-15/h1-9H
InChIKeyUGDFEQZQNCGLGR-UHFFFAOYSA-N
MW416.59 g/mol
LogP5.60
Rot. Bonds6

About tris(6-chloro-2-pyridinyl) phosphite

tris(6-chloro-2-pyridinyl) phosphite (PubChem CID 122395676) has the molecular formula C15H9Cl3N3O3P and a molecular weight of 416.59 g/mol. Its IUPAC name is tris(6-chloro-2-pyridinyl) phosphite.

Molecular Properties

Compound Nametris(6-chloro-2-pyridinyl) phosphite
PubChem CID122395676
Molecular FormulaC15H9Cl3N3O3P
Molecular Weight416.59 g/mol
Exact Mass414.94
IUPAC Nametris(6-chloro-2-pyridinyl) phosphite
SMILESClc1cccc(OP(Oc2cccc(Cl)n2)Oc2cccc(Cl)n2)n1
InChIInChI=1S/C15H9Cl3N3O3P/c16-10-4-1-7-13(19-10)22-25(23-14-8-2-5-11(17)20-14)24-15-9-3-6-12(18)21-15/h1-9H
InChIKeyUGDFEQZQNCGLGR-UHFFFAOYSA-N
XLogP5.60
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.59
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(6-chloro-2-pyridinyl) phosphite?
The IUPAC name of tris(6-chloro-2-pyridinyl) phosphite (CID 122395676) is tris(6-chloro-2-pyridinyl) phosphite.
What is the SMILES notation for tris(6-chloro-2-pyridinyl) phosphite?
The canonical SMILES for tris(6-chloro-2-pyridinyl) phosphite is Clc1cccc(OP(Oc2cccc(Cl)n2)Oc2cccc(Cl)n2)n1.
What is the InChIKey of tris(6-chloro-2-pyridinyl) phosphite?
The InChIKey is UGDFEQZQNCGLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N3O3P/c16-10-4-1-7-13(19-10)22-25(23-14-8-2-5-11(17)20-14)24-15-9-3-6-12(18)21-15/h1-9H.
What are the key properties of tris(6-chloro-2-pyridinyl) phosphite?
tris(6-chloro-2-pyridinyl) phosphite has a molecular weight of 416.59 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-chloro-2-pyridinyl) phosphite is sourced from PubChem (CID 122395676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).