2-(4-diethoxyphosphorylphenyl)-4-methylpyridine

C16H20NO3P — CID 138627774

IUPAC2-(4-diethoxyphosphorylphenyl)-4-methylpyridine
SMILESCCOP(=O)(OCC)c1ccc(-c2cc(C)ccn2)cc1
InChIInChI=1S/C16H20NO3P/c1-4-19-21(18,20-5-2)15-8-6-14(7-9-15)16-12-13(3)10-11-17-16/h6-12H,4-5H2,1-3H3
InChIKeyJBBDEPARXOPZHH-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.95
Rot. Bonds6

About 2-(4-diethoxyphosphorylphenyl)-4-methylpyridine

2-(4-diethoxyphosphorylphenyl)-4-methylpyridine (PubChem CID 138627774) has the molecular formula C16H20NO3P and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(4-diethoxyphosphorylphenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-(4-diethoxyphosphorylphenyl)-4-methylpyridine
PubChem CID138627774
Molecular FormulaC16H20NO3P
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-(4-diethoxyphosphorylphenyl)-4-methylpyridine
SMILESCCOP(=O)(OCC)c1ccc(-c2cc(C)ccn2)cc1
InChIInChI=1S/C16H20NO3P/c1-4-19-21(18,20-5-2)15-8-6-14(7-9-15)16-12-13(3)10-11-17-16/h6-12H,4-5H2,1-3H3
InChIKeyJBBDEPARXOPZHH-UHFFFAOYSA-N
XLogP3.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-diethoxyphosphorylphenyl)-4-methylpyridine?
The IUPAC name of 2-(4-diethoxyphosphorylphenyl)-4-methylpyridine (CID 138627774) is 2-(4-diethoxyphosphorylphenyl)-4-methylpyridine.
What is the SMILES notation for 2-(4-diethoxyphosphorylphenyl)-4-methylpyridine?
The canonical SMILES for 2-(4-diethoxyphosphorylphenyl)-4-methylpyridine is CCOP(=O)(OCC)c1ccc(-c2cc(C)ccn2)cc1.
What is the InChIKey of 2-(4-diethoxyphosphorylphenyl)-4-methylpyridine?
The InChIKey is JBBDEPARXOPZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO3P/c1-4-19-21(18,20-5-2)15-8-6-14(7-9-15)16-12-13(3)10-11-17-16/h6-12H,4-5H2,1-3H3.
What are the key properties of 2-(4-diethoxyphosphorylphenyl)-4-methylpyridine?
2-(4-diethoxyphosphorylphenyl)-4-methylpyridine has a molecular weight of 305.31 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diethoxyphosphorylphenyl)-4-methylpyridine is sourced from PubChem (CID 138627774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).