3-diethoxyphosphoryl-2,4,6-trimethylpyridine

C12H20NO3P — CID 166174249

IUPAC3-diethoxyphosphoryl-2,4,6-trimethylpyridine
SMILESCCOP(=O)(OCC)c1c(C)cc(C)nc1C
InChIInChI=1S/C12H20NO3P/c1-6-15-17(14,16-7-2)12-9(3)8-10(4)13-11(12)5/h8H,6-7H2,1-5H3
InChIKeySERNXGNQMKCSRX-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.90
Rot. Bonds5

About 3-diethoxyphosphoryl-2,4,6-trimethylpyridine

3-diethoxyphosphoryl-2,4,6-trimethylpyridine (PubChem CID 166174249) has the molecular formula C12H20NO3P and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-2,4,6-trimethylpyridine.

Molecular Properties

Compound Name3-diethoxyphosphoryl-2,4,6-trimethylpyridine
PubChem CID166174249
Molecular FormulaC12H20NO3P
Molecular Weight257.27 g/mol
Exact Mass257.12
IUPAC Name3-diethoxyphosphoryl-2,4,6-trimethylpyridine
SMILESCCOP(=O)(OCC)c1c(C)cc(C)nc1C
InChIInChI=1S/C12H20NO3P/c1-6-15-17(14,16-7-2)12-9(3)8-10(4)13-11(12)5/h8H,6-7H2,1-5H3
InChIKeySERNXGNQMKCSRX-UHFFFAOYSA-N
XLogP2.90
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-2,4,6-trimethylpyridine?
The IUPAC name of 3-diethoxyphosphoryl-2,4,6-trimethylpyridine (CID 166174249) is 3-diethoxyphosphoryl-2,4,6-trimethylpyridine.
What is the SMILES notation for 3-diethoxyphosphoryl-2,4,6-trimethylpyridine?
The canonical SMILES for 3-diethoxyphosphoryl-2,4,6-trimethylpyridine is CCOP(=O)(OCC)c1c(C)cc(C)nc1C.
What is the InChIKey of 3-diethoxyphosphoryl-2,4,6-trimethylpyridine?
The InChIKey is SERNXGNQMKCSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO3P/c1-6-15-17(14,16-7-2)12-9(3)8-10(4)13-11(12)5/h8H,6-7H2,1-5H3.
What are the key properties of 3-diethoxyphosphoryl-2,4,6-trimethylpyridine?
3-diethoxyphosphoryl-2,4,6-trimethylpyridine has a molecular weight of 257.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-2,4,6-trimethylpyridine is sourced from PubChem (CID 166174249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).