2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine

C16H19FNO3P — CID 59016132

IUPAC2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine
SMILESCCOP(=O)(Cc1ccc(-c2ccccc2F)cn1)OCC
InChIInChI=1S/C16H19FNO3P/c1-3-20-22(19,21-4-2)12-14-10-9-13(11-18-14)15-7-5-6-8-16(15)17/h5-11H,3-4,12H2,1-2H3
InChIKeyMVPYAHKDMLPCHR-UHFFFAOYSA-N
MW323.30 g/mol
LogP4.65
Rot. Bonds7

About 2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine

2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine (PubChem CID 59016132) has the molecular formula C16H19FNO3P and a molecular weight of 323.30 g/mol. Its IUPAC name is 2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine
PubChem CID59016132
Molecular FormulaC16H19FNO3P
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine
SMILESCCOP(=O)(Cc1ccc(-c2ccccc2F)cn1)OCC
InChIInChI=1S/C16H19FNO3P/c1-3-20-22(19,21-4-2)12-14-10-9-13(11-18-14)15-7-5-6-8-16(15)17/h5-11H,3-4,12H2,1-2H3
InChIKeyMVPYAHKDMLPCHR-UHFFFAOYSA-N
XLogP4.65
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine?
The IUPAC name of 2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine (CID 59016132) is 2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine.
What is the SMILES notation for 2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine?
The canonical SMILES for 2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine is CCOP(=O)(Cc1ccc(-c2ccccc2F)cn1)OCC.
What is the InChIKey of 2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine?
The InChIKey is MVPYAHKDMLPCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FNO3P/c1-3-20-22(19,21-4-2)12-14-10-9-13(11-18-14)15-7-5-6-8-16(15)17/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine?
2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine has a molecular weight of 323.30 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine is sourced from PubChem (CID 59016132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).