2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine

C15H27NO6P2 — CID 11810977

IUPAC2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine
SMILESCCOP(=O)(CC(c1ccccn1)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C15H27NO6P2/c1-5-19-23(17,20-6-2)13-15(14-11-9-10-12-16-14)24(18,21-7-3)22-8-4/h9-12,15H,5-8,13H2,1-4H3
InChIKeyYQNJQNJPSWNBHP-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.65
Rot. Bonds12

About 2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine

2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine (PubChem CID 11810977) has the molecular formula C15H27NO6P2 and a molecular weight of 379.33 g/mol. Its IUPAC name is 2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine.

Molecular Properties

Compound Name2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine
PubChem CID11810977
Molecular FormulaC15H27NO6P2
Molecular Weight379.33 g/mol
Exact Mass379.13
IUPAC Name2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine
SMILESCCOP(=O)(CC(c1ccccn1)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C15H27NO6P2/c1-5-19-23(17,20-6-2)13-15(14-11-9-10-12-16-14)24(18,21-7-3)22-8-4/h9-12,15H,5-8,13H2,1-4H3
InChIKeyYQNJQNJPSWNBHP-UHFFFAOYSA-N
XLogP4.65
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-2-diethoxyphosphoryl-1-pyridin-2-ylethyl] acetate
CID 11255066
2-(diethoxyphosphorylmethylsulfonyl)pyridine
CID 23421466
bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate
CID 139065832
2-(2-diethoxyphosphorylethyl)pyridine
CID 11128503
CID 72712429
CID 72712429
N-benzyl-N-(diethoxyphosphorylmethyl)-1-pyridin-2-yl-1-thiophen-2-ylmethanamine
CID 59788397
2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine
CID 10501969
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
CID 124510790
ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine?
The IUPAC name of 2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine (CID 11810977) is 2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine.
What is the SMILES notation for 2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine?
The canonical SMILES for 2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine is CCOP(=O)(CC(c1ccccn1)P(=O)(OCC)OCC)OCC.
What is the InChIKey of 2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine?
The InChIKey is YQNJQNJPSWNBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO6P2/c1-5-19-23(17,20-6-2)13-15(14-11-9-10-12-16-14)24(18,21-7-3)22-8-4/h9-12,15H,5-8,13H2,1-4H3.
What are the key properties of 2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine?
2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine has a molecular weight of 379.33 g/mol, XLogP of 4.65, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine is sourced from PubChem (CID 11810977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).