5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol

C13H11F2NO2 — CID 56715553

IUPAC5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol
SMILESCCOc1ncccc1-c1cc(O)c(F)c(F)c1
InChIInChI=1S/C13H11F2NO2/c1-2-18-13-9(4-3-5-16-13)8-6-10(14)12(15)11(17)7-8/h3-7,17H,2H2,1H3
InChIKeyGDJWCNOBKXWFCQ-UHFFFAOYSA-N
MW251.23 g/mol
LogP3.13
Rot. Bonds3

About 5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol

5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol (PubChem CID 56715553) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol
PubChem CID56715553
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol
SMILESCCOc1ncccc1-c1cc(O)c(F)c(F)c1
InChIInChI=1S/C13H11F2NO2/c1-2-18-13-9(4-3-5-16-13)8-6-10(14)12(15)11(17)7-8/h3-7,17H,2H2,1H3
InChIKeyGDJWCNOBKXWFCQ-UHFFFAOYSA-N
XLogP3.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol (CID 56715553) is 5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol is CCOc1ncccc1-c1cc(O)c(F)c(F)c1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol?
The InChIKey is GDJWCNOBKXWFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-2-18-13-9(4-3-5-16-13)8-6-10(14)12(15)11(17)7-8/h3-7,17H,2H2,1H3.
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol?
5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol has a molecular weight of 251.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-2,3-difluorophenol is sourced from PubChem (CID 56715553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).