2-diethoxyphosphoryl-5-propan-2-ylpyridine

C12H20NO3P — CID 176650891

IUPAC2-diethoxyphosphoryl-5-propan-2-ylpyridine
SMILESCCOP(=O)(OCC)c1ccc(C(C)C)cn1
InChIInChI=1S/C12H20NO3P/c1-5-15-17(14,16-6-2)12-8-7-11(9-13-12)10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyBKEYVOKPQWQOSF-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.10
Rot. Bonds6

About 2-diethoxyphosphoryl-5-propan-2-ylpyridine

2-diethoxyphosphoryl-5-propan-2-ylpyridine (PubChem CID 176650891) has the molecular formula C12H20NO3P and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-5-propan-2-ylpyridine
PubChem CID176650891
Molecular FormulaC12H20NO3P
Molecular Weight257.27 g/mol
Exact Mass257.12
IUPAC Name2-diethoxyphosphoryl-5-propan-2-ylpyridine
SMILESCCOP(=O)(OCC)c1ccc(C(C)C)cn1
InChIInChI=1S/C12H20NO3P/c1-5-15-17(14,16-6-2)12-8-7-11(9-13-12)10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyBKEYVOKPQWQOSF-UHFFFAOYSA-N
XLogP3.10
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.10
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-diethoxyphosphoryl-5-propan-2-ylpyridine?
The IUPAC name of 2-diethoxyphosphoryl-5-propan-2-ylpyridine (CID 176650891) is 2-diethoxyphosphoryl-5-propan-2-ylpyridine.
What is the SMILES notation for 2-diethoxyphosphoryl-5-propan-2-ylpyridine?
The canonical SMILES for 2-diethoxyphosphoryl-5-propan-2-ylpyridine is CCOP(=O)(OCC)c1ccc(C(C)C)cn1.
What is the InChIKey of 2-diethoxyphosphoryl-5-propan-2-ylpyridine?
The InChIKey is BKEYVOKPQWQOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO3P/c1-5-15-17(14,16-6-2)12-8-7-11(9-13-12)10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-diethoxyphosphoryl-5-propan-2-ylpyridine?
2-diethoxyphosphoryl-5-propan-2-ylpyridine has a molecular weight of 257.27 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-5-propan-2-ylpyridine is sourced from PubChem (CID 176650891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).