2-(5-ethoxy-3-pyridinyl)-5-fluorophenol

C13H12FNO2 — CID 83131100

IUPAC2-(5-ethoxy-3-pyridinyl)-5-fluorophenol
SMILESCCOc1cncc(-c2ccc(F)cc2O)c1
InChIInChI=1S/C13H12FNO2/c1-2-17-11-5-9(7-15-8-11)12-4-3-10(14)6-13(12)16/h3-8,16H,2H2,1H3
InChIKeyBZNQHFAIYBPMKD-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.99
Rot. Bonds3

About 2-(5-ethoxy-3-pyridinyl)-5-fluorophenol

2-(5-ethoxy-3-pyridinyl)-5-fluorophenol (PubChem CID 83131100) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-(5-ethoxy-3-pyridinyl)-5-fluorophenol.

Molecular Properties

Compound Name2-(5-ethoxy-3-pyridinyl)-5-fluorophenol
PubChem CID83131100
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name2-(5-ethoxy-3-pyridinyl)-5-fluorophenol
SMILESCCOc1cncc(-c2ccc(F)cc2O)c1
InChIInChI=1S/C13H12FNO2/c1-2-17-11-5-9(7-15-8-11)12-4-3-10(14)6-13(12)16/h3-8,16H,2H2,1H3
InChIKeyBZNQHFAIYBPMKD-UHFFFAOYSA-N
XLogP2.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-3-pyridinyl)-5-fluorophenol?
The IUPAC name of 2-(5-ethoxy-3-pyridinyl)-5-fluorophenol (CID 83131100) is 2-(5-ethoxy-3-pyridinyl)-5-fluorophenol.
What is the SMILES notation for 2-(5-ethoxy-3-pyridinyl)-5-fluorophenol?
The canonical SMILES for 2-(5-ethoxy-3-pyridinyl)-5-fluorophenol is CCOc1cncc(-c2ccc(F)cc2O)c1.
What is the InChIKey of 2-(5-ethoxy-3-pyridinyl)-5-fluorophenol?
The InChIKey is BZNQHFAIYBPMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-2-17-11-5-9(7-15-8-11)12-4-3-10(14)6-13(12)16/h3-8,16H,2H2,1H3.
What are the key properties of 2-(5-ethoxy-3-pyridinyl)-5-fluorophenol?
2-(5-ethoxy-3-pyridinyl)-5-fluorophenol has a molecular weight of 233.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-3-pyridinyl)-5-fluorophenol is sourced from PubChem (CID 83131100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).