5-fluoro-2-(hydroxymethyl)pyridin-3-ol

C6H6FNO2 — CID 130850536

IUPAC5-fluoro-2-(hydroxymethyl)pyridin-3-ol
SMILESOCc1ncc(F)cc1O
InChIInChI=1S/C6H6FNO2/c7-4-1-6(10)5(3-9)8-2-4/h1-2,9-10H,3H2
InChIKeyKYRYKNPXYXHOSJ-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.42
Rot. Bonds1

About 5-fluoro-2-(hydroxymethyl)pyridin-3-ol

5-fluoro-2-(hydroxymethyl)pyridin-3-ol (PubChem CID 130850536) has the molecular formula C6H6FNO2 and a molecular weight of 143.12 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)pyridin-3-ol
PubChem CID130850536
Molecular FormulaC6H6FNO2
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name5-fluoro-2-(hydroxymethyl)pyridin-3-ol
SMILESOCc1ncc(F)cc1O
InChIInChI=1S/C6H6FNO2/c7-4-1-6(10)5(3-9)8-2-4/h1-2,9-10H,3H2
InChIKeyKYRYKNPXYXHOSJ-UHFFFAOYSA-N
XLogP0.42
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(hydroxymethyl)pyridin-3-ol?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)pyridin-3-ol (CID 130850536) is 5-fluoro-2-(hydroxymethyl)pyridin-3-ol.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)pyridin-3-ol?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)pyridin-3-ol is OCc1ncc(F)cc1O.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)pyridin-3-ol?
The InChIKey is KYRYKNPXYXHOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2/c7-4-1-6(10)5(3-9)8-2-4/h1-2,9-10H,3H2.
What are the key properties of 5-fluoro-2-(hydroxymethyl)pyridin-3-ol?
5-fluoro-2-(hydroxymethyl)pyridin-3-ol has a molecular weight of 143.12 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(hydroxymethyl)pyridin-3-ol is sourced from PubChem (CID 130850536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).