2-(diethoxyphosphorylmethylsulfonyl)pyridine

C10H16NO5PS — CID 23421466

IUPAC2-(diethoxyphosphorylmethylsulfonyl)pyridine
SMILESCCOP(=O)(CS(=O)(=O)c1ccccn1)OCC
InChIInChI=1S/C10H16NO5PS/c1-3-15-17(12,16-4-2)9-18(13,14)10-7-5-6-8-11-10/h5-8H,3-4,9H2,1-2H3
InChIKeyGKNVSTIUQVBENR-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.08
Rot. Bonds7

About 2-(diethoxyphosphorylmethylsulfonyl)pyridine

2-(diethoxyphosphorylmethylsulfonyl)pyridine (PubChem CID 23421466) has the molecular formula C10H16NO5PS and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-(diethoxyphosphorylmethylsulfonyl)pyridine.

Molecular Properties

Compound Name2-(diethoxyphosphorylmethylsulfonyl)pyridine
PubChem CID23421466
Molecular FormulaC10H16NO5PS
Molecular Weight293.28 g/mol
Exact Mass293.05
IUPAC Name2-(diethoxyphosphorylmethylsulfonyl)pyridine
SMILESCCOP(=O)(CS(=O)(=O)c1ccccn1)OCC
InChIInChI=1S/C10H16NO5PS/c1-3-15-17(12,16-4-2)9-18(13,14)10-7-5-6-8-11-10/h5-8H,3-4,9H2,1-2H3
InChIKeyGKNVSTIUQVBENR-UHFFFAOYSA-N
XLogP2.08
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate
CID 139065832
2-(2-diethoxyphosphorylethyl)pyridine
CID 11128503
2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine
CID 11810977
2-(chloromethylsulfonyl)pyridine
CID 54090294
2-propylsulfonylpyridine tetrafluoroborate
CID 175603723
N-methyl-2-pyridin-2-ylsulfonylethanamine
CID 71130386
[(1S)-2-diethoxyphosphoryl-1-pyridin-2-ylethyl] acetate
CID 11255066
2-[(2R)-2-phenylbutyl]sulfonylpyridine
CID 24898450
ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425
2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine
CID 102521515
2-[(2R)-2-methylheptyl]sulfonylpyridine
CID 102521509

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxyphosphorylmethylsulfonyl)pyridine?
The IUPAC name of 2-(diethoxyphosphorylmethylsulfonyl)pyridine (CID 23421466) is 2-(diethoxyphosphorylmethylsulfonyl)pyridine.
What is the SMILES notation for 2-(diethoxyphosphorylmethylsulfonyl)pyridine?
The canonical SMILES for 2-(diethoxyphosphorylmethylsulfonyl)pyridine is CCOP(=O)(CS(=O)(=O)c1ccccn1)OCC.
What is the InChIKey of 2-(diethoxyphosphorylmethylsulfonyl)pyridine?
The InChIKey is GKNVSTIUQVBENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO5PS/c1-3-15-17(12,16-4-2)9-18(13,14)10-7-5-6-8-11-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 2-(diethoxyphosphorylmethylsulfonyl)pyridine?
2-(diethoxyphosphorylmethylsulfonyl)pyridine has a molecular weight of 293.28 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyphosphorylmethylsulfonyl)pyridine is sourced from PubChem (CID 23421466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).