1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol

C13H13FN2O2 — CID 114080692

IUPAC1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol
SMILESCOc1cccnc1C(C)(O)c1cncc(F)c1
InChIInChI=1S/C13H13FN2O2/c1-13(17,9-6-10(14)8-15-7-9)12-11(18-2)4-3-5-16-12/h3-8,17H,1-2H3
InChIKeyXFBUJRSINHHYGD-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.88
Rot. Bonds3

About 1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol

1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol (PubChem CID 114080692) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol
PubChem CID114080692
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol
SMILESCOc1cccnc1C(C)(O)c1cncc(F)c1
InChIInChI=1S/C13H13FN2O2/c1-13(17,9-6-10(14)8-15-7-9)12-11(18-2)4-3-5-16-12/h3-8,17H,1-2H3
InChIKeyXFBUJRSINHHYGD-UHFFFAOYSA-N
XLogP1.88
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol (CID 114080692) is 1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol is COc1cccnc1C(C)(O)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol?
The InChIKey is XFBUJRSINHHYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-13(17,9-6-10(14)8-15-7-9)12-11(18-2)4-3-5-16-12/h3-8,17H,1-2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol?
1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol has a molecular weight of 248.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol is sourced from PubChem (CID 114080692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).