4-diethoxyphosphoryl-3-fluoropyridine

C9H13FNO3P — CID 166610029

IUPAC4-diethoxyphosphoryl-3-fluoropyridine
SMILESCCOP(=O)(OCC)c1ccncc1F
InChIInChI=1S/C9H13FNO3P/c1-3-13-15(12,14-4-2)9-5-6-11-7-8(9)10/h5-7H,3-4H2,1-2H3
InChIKeyILRSNRKRHCWFEB-UHFFFAOYSA-N
MW233.18 g/mol
LogP2.11
Rot. Bonds5

About 4-diethoxyphosphoryl-3-fluoropyridine

4-diethoxyphosphoryl-3-fluoropyridine (PubChem CID 166610029) has the molecular formula C9H13FNO3P and a molecular weight of 233.18 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-3-fluoropyridine.

Molecular Properties

Compound Name4-diethoxyphosphoryl-3-fluoropyridine
PubChem CID166610029
Molecular FormulaC9H13FNO3P
Molecular Weight233.18 g/mol
Exact Mass233.06
IUPAC Name4-diethoxyphosphoryl-3-fluoropyridine
SMILESCCOP(=O)(OCC)c1ccncc1F
InChIInChI=1S/C9H13FNO3P/c1-3-13-15(12,14-4-2)9-5-6-11-7-8(9)10/h5-7H,3-4H2,1-2H3
InChIKeyILRSNRKRHCWFEB-UHFFFAOYSA-N
XLogP2.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 52.11
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 4-diethoxyphosphoryl-3-fluoropyridine?
The IUPAC name of 4-diethoxyphosphoryl-3-fluoropyridine (CID 166610029) is 4-diethoxyphosphoryl-3-fluoropyridine.
What is the SMILES notation for 4-diethoxyphosphoryl-3-fluoropyridine?
The canonical SMILES for 4-diethoxyphosphoryl-3-fluoropyridine is CCOP(=O)(OCC)c1ccncc1F.
What is the InChIKey of 4-diethoxyphosphoryl-3-fluoropyridine?
The InChIKey is ILRSNRKRHCWFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FNO3P/c1-3-13-15(12,14-4-2)9-5-6-11-7-8(9)10/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-diethoxyphosphoryl-3-fluoropyridine?
4-diethoxyphosphoryl-3-fluoropyridine has a molecular weight of 233.18 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-3-fluoropyridine is sourced from PubChem (CID 166610029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).