3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine

C15H25NO7P2 — CID 102444304

IUPAC3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine
SMILESCCOP(=O)(OCC)C1(P(=O)(OCC)OCC)OC1c1cccnc1
InChIInChI=1S/C15H25NO7P2/c1-5-19-24(17,20-6-2)15(25(18,21-7-3)22-8-4)14(23-15)13-10-9-11-16-12-13/h9-12,14H,5-8H2,1-4H3
InChIKeyYZDBTECUIVXRDD-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.34
Rot. Bonds11

About 3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine

3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine (PubChem CID 102444304) has the molecular formula C15H25NO7P2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine.

Molecular Properties

Compound Name3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine
PubChem CID102444304
Molecular FormulaC15H25NO7P2
Molecular Weight393.31 g/mol
Exact Mass393.11
IUPAC Name3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine
SMILESCCOP(=O)(OCC)C1(P(=O)(OCC)OCC)OC1c1cccnc1
InChIInChI=1S/C15H25NO7P2/c1-5-19-24(17,20-6-2)15(25(18,21-7-3)22-8-4)14(23-15)13-10-9-11-16-12-13/h9-12,14H,5-8H2,1-4H3
InChIKeyYZDBTECUIVXRDD-UHFFFAOYSA-N
XLogP4.34
TPSA96.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(1-oxaspiro[2.5]octan-2-yl)pyridine
CID 10726324
[(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol
CID 54339470
3-(2-diethoxyphosphorylethynyl)pyridine
CID 11107433
diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate
CID 7069814
ethyl 2-oxo-4-pyridin-3-ylpyrrolidine-3-carboxylate
CID 122402974
N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine
CID 44585290
[1-[ethoxy(hydroxy)phosphoryl]-2-pyridin-3-ylethyl]phosphonic acid
CID 142636074
(2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane
CID 126741056
chloro-ethoxy-pyridin-3-yloxy-sulfanylidene-λ5-phosphane
CID 54345380
ethyl (2S,3S)-3-methyl-3-pyridin-3-yloxirane-2-carboxylate
CID 124515511
(2S)-4,4-diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine
CID 668641
2-[diethoxyphosphoryl(pyridin-3-yl)methyl]propanedinitrile
CID 53310628

Frequently Asked Questions

What is the IUPAC name of 3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine?
The IUPAC name of 3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine (CID 102444304) is 3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine.
What is the SMILES notation for 3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine?
The canonical SMILES for 3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine is CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)OC1c1cccnc1.
What is the InChIKey of 3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine?
The InChIKey is YZDBTECUIVXRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO7P2/c1-5-19-24(17,20-6-2)15(25(18,21-7-3)22-8-4)14(23-15)13-10-9-11-16-12-13/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine?
3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine has a molecular weight of 393.31 g/mol, XLogP of 4.34, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine is sourced from PubChem (CID 102444304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).