2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane

C7H8BrINO2P — CID 144666714

IUPAC2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane
SMILESBrc1cncc(OCCOPI)c1
InChIInChI=1S/C7H8BrINO2P/c8-6-3-7(5-10-4-6)11-1-2-12-13-9/h3-5,13H,1-2H2
InChIKeyIMFFRMQCEFVFDV-UHFFFAOYSA-N
MW375.93 g/mol
LogP3.18
Rot. Bonds5

About 2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane

2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane (PubChem CID 144666714) has the molecular formula C7H8BrINO2P and a molecular weight of 375.93 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane
PubChem CID144666714
Molecular FormulaC7H8BrINO2P
Molecular Weight375.93 g/mol
Exact Mass374.85
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane
SMILESBrc1cncc(OCCOPI)c1
InChIInChI=1S/C7H8BrINO2P/c8-6-3-7(5-10-4-6)11-1-2-12-13-9/h3-5,13H,1-2H2
InChIKeyIMFFRMQCEFVFDV-UHFFFAOYSA-N
XLogP3.18
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane (CID 144666714) is 2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane is Brc1cncc(OCCOPI)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane?
The InChIKey is IMFFRMQCEFVFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrINO2P/c8-6-3-7(5-10-4-6)11-1-2-12-13-9/h3-5,13H,1-2H2.
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane?
2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane has a molecular weight of 375.93 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxy]ethoxy-iodophosphane is sourced from PubChem (CID 144666714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).