2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine

C11H18NO2P — CID 176650885

IUPAC2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(OCP(C)(C)=O)nc1
InChIInChI=1S/C11H18NO2P/c1-9(2)10-5-6-11(12-7-10)14-8-15(3,4)13/h5-7,9H,8H2,1-4H3
InChIKeyUMQJDIWQRFBJGY-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.16
Rot. Bonds4

About 2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine

2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine (PubChem CID 176650885) has the molecular formula C11H18NO2P and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine
PubChem CID176650885
Molecular FormulaC11H18NO2P
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(OCP(C)(C)=O)nc1
InChIInChI=1S/C11H18NO2P/c1-9(2)10-5-6-11(12-7-10)14-8-15(3,4)13/h5-7,9H,8H2,1-4H3
InChIKeyUMQJDIWQRFBJGY-UHFFFAOYSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine?
The IUPAC name of 2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine (CID 176650885) is 2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine.
What is the SMILES notation for 2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine?
The canonical SMILES for 2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine is CC(C)c1ccc(OCP(C)(C)=O)nc1.
What is the InChIKey of 2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine?
The InChIKey is UMQJDIWQRFBJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO2P/c1-9(2)10-5-6-11(12-7-10)14-8-15(3,4)13/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine?
2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine has a molecular weight of 227.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine is sourced from PubChem (CID 176650885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).