2,6-dichloro-3-diethoxyphosphorylpyridine

C9H12Cl2NO3P — CID 166610023

IUPAC2,6-dichloro-3-diethoxyphosphorylpyridine
SMILESCCOP(=O)(OCC)c1ccc(Cl)nc1Cl
InChIInChI=1S/C9H12Cl2NO3P/c1-3-14-16(13,15-4-2)7-5-6-8(10)12-9(7)11/h5-6H,3-4H2,1-2H3
InChIKeyXZHDFDPYRIPXPS-UHFFFAOYSA-N
MW284.08 g/mol
LogP3.28
Rot. Bonds5

About 2,6-dichloro-3-diethoxyphosphorylpyridine

2,6-dichloro-3-diethoxyphosphorylpyridine (PubChem CID 166610023) has the molecular formula C9H12Cl2NO3P and a molecular weight of 284.08 g/mol. Its IUPAC name is 2,6-dichloro-3-diethoxyphosphorylpyridine.

Molecular Properties

Compound Name2,6-dichloro-3-diethoxyphosphorylpyridine
PubChem CID166610023
Molecular FormulaC9H12Cl2NO3P
Molecular Weight284.08 g/mol
Exact Mass282.99
IUPAC Name2,6-dichloro-3-diethoxyphosphorylpyridine
SMILESCCOP(=O)(OCC)c1ccc(Cl)nc1Cl
InChIInChI=1S/C9H12Cl2NO3P/c1-3-14-16(13,15-4-2)7-5-6-8(10)12-9(7)11/h5-6H,3-4H2,1-2H3
InChIKeyXZHDFDPYRIPXPS-UHFFFAOYSA-N
XLogP3.28
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-diethoxyphosphorylpyridine?
The IUPAC name of 2,6-dichloro-3-diethoxyphosphorylpyridine (CID 166610023) is 2,6-dichloro-3-diethoxyphosphorylpyridine.
What is the SMILES notation for 2,6-dichloro-3-diethoxyphosphorylpyridine?
The canonical SMILES for 2,6-dichloro-3-diethoxyphosphorylpyridine is CCOP(=O)(OCC)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-diethoxyphosphorylpyridine?
The InChIKey is XZHDFDPYRIPXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2NO3P/c1-3-14-16(13,15-4-2)7-5-6-8(10)12-9(7)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,6-dichloro-3-diethoxyphosphorylpyridine?
2,6-dichloro-3-diethoxyphosphorylpyridine has a molecular weight of 284.08 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-diethoxyphosphorylpyridine is sourced from PubChem (CID 166610023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).