5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine

C18H26N2O6P2 — CID 53249416

IUPAC5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine
SMILESCCOP(=O)(OCC)c1ccc(-c2ccc(P(=O)(OCC)OCC)cn2)nc1
InChIInChI=1S/C18H26N2O6P2/c1-5-23-27(21,24-6-2)15-9-11-17(19-13-15)18-12-10-16(14-20-18)28(22,25-7-3)26-8-4/h9-14H,5-8H2,1-4H3
InChIKeyKDHNLPDUAXBZFE-UHFFFAOYSA-N
MW428.36 g/mol
LogP3.93
Rot. Bonds11

About 5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine

5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine (PubChem CID 53249416) has the molecular formula C18H26N2O6P2 and a molecular weight of 428.36 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine
PubChem CID53249416
Molecular FormulaC18H26N2O6P2
Molecular Weight428.36 g/mol
Exact Mass428.13
IUPAC Name5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine
SMILESCCOP(=O)(OCC)c1ccc(-c2ccc(P(=O)(OCC)OCC)cn2)nc1
InChIInChI=1S/C18H26N2O6P2/c1-5-23-27(21,24-6-2)15-9-11-17(19-13-15)18-12-10-16(14-20-18)28(22,25-7-3)26-8-4/h9-14H,5-8H2,1-4H3
InChIKeyKDHNLPDUAXBZFE-UHFFFAOYSA-N
XLogP3.93
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine?
The IUPAC name of 5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine (CID 53249416) is 5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine.
What is the SMILES notation for 5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine?
The canonical SMILES for 5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine is CCOP(=O)(OCC)c1ccc(-c2ccc(P(=O)(OCC)OCC)cn2)nc1.
What is the InChIKey of 5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine?
The InChIKey is KDHNLPDUAXBZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6P2/c1-5-23-27(21,24-6-2)15-9-11-17(19-13-15)18-12-10-16(14-20-18)28(22,25-7-3)26-8-4/h9-14H,5-8H2,1-4H3.
What are the key properties of 5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine?
5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine has a molecular weight of 428.36 g/mol, XLogP of 3.93, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine is sourced from PubChem (CID 53249416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).