2-(2-diethoxyphosphorylethyl)pyridine

C11H18NO3P — CID 11128503

IUPAC2-(2-diethoxyphosphorylethyl)pyridine
SMILESCCOP(=O)(CCc1ccccn1)OCC
InChIInChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)10-8-11-7-5-6-9-12-11/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyPEKLMNKSSXKQKM-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.89
Rot. Bonds7

About 2-(2-diethoxyphosphorylethyl)pyridine

2-(2-diethoxyphosphorylethyl)pyridine (PubChem CID 11128503) has the molecular formula C11H18NO3P and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-(2-diethoxyphosphorylethyl)pyridine.

Molecular Properties

Compound Name2-(2-diethoxyphosphorylethyl)pyridine
PubChem CID11128503
Molecular FormulaC11H18NO3P
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name2-(2-diethoxyphosphorylethyl)pyridine
SMILESCCOP(=O)(CCc1ccccn1)OCC
InChIInChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)10-8-11-7-5-6-9-12-11/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyPEKLMNKSSXKQKM-UHFFFAOYSA-N
XLogP2.89
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate
CID 139065832
ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425
2-diethoxyphosphorylethylbenzene
CID 3448525
2-(diethoxyphosphorylmethylsulfonyl)pyridine
CID 23421466
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine
CID 11810977
dimethyl pyridin-2-ylmethyl phosphate
CID 11622628
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741
4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline
CID 170420991
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
trimethoxy(2-pyridin-2-ylethyl)silane
CID 158126739

Frequently Asked Questions

What is the IUPAC name of 2-(2-diethoxyphosphorylethyl)pyridine?
The IUPAC name of 2-(2-diethoxyphosphorylethyl)pyridine (CID 11128503) is 2-(2-diethoxyphosphorylethyl)pyridine.
What is the SMILES notation for 2-(2-diethoxyphosphorylethyl)pyridine?
The canonical SMILES for 2-(2-diethoxyphosphorylethyl)pyridine is CCOP(=O)(CCc1ccccn1)OCC.
What is the InChIKey of 2-(2-diethoxyphosphorylethyl)pyridine?
The InChIKey is PEKLMNKSSXKQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)10-8-11-7-5-6-9-12-11/h5-7,9H,3-4,8,10H2,1-2H3.
What are the key properties of 2-(2-diethoxyphosphorylethyl)pyridine?
2-(2-diethoxyphosphorylethyl)pyridine has a molecular weight of 243.24 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diethoxyphosphorylethyl)pyridine is sourced from PubChem (CID 11128503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).