1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol

C13H12FNO2 — CID 43506592

IUPAC1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol
SMILESCC(O)c1cc(F)ccc1Oc1cccnc1
InChIInChI=1S/C13H12FNO2/c1-9(16)12-7-10(14)4-5-13(12)17-11-3-2-6-15-8-11/h2-9,16H,1H3
InChIKeyQHVDYFWRJONHQZ-UHFFFAOYSA-N
MW233.24 g/mol
LogP3.07
Rot. Bonds3

About 1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol

1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol (PubChem CID 43506592) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol
PubChem CID43506592
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol
SMILESCC(O)c1cc(F)ccc1Oc1cccnc1
InChIInChI=1S/C13H12FNO2/c1-9(16)12-7-10(14)4-5-13(12)17-11-3-2-6-15-8-11/h2-9,16H,1H3
InChIKeyQHVDYFWRJONHQZ-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol?
The IUPAC name of 1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol (CID 43506592) is 1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol.
What is the SMILES notation for 1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol?
The canonical SMILES for 1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol is CC(O)c1cc(F)ccc1Oc1cccnc1.
What is the InChIKey of 1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol?
The InChIKey is QHVDYFWRJONHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-9(16)12-7-10(14)4-5-13(12)17-11-3-2-6-15-8-11/h2-9,16H,1H3.
What are the key properties of 1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol?
1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol has a molecular weight of 233.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridin-3-yloxyphenyl)ethanol is sourced from PubChem (CID 43506592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).