3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one

C6H6FNO2 — CID 130781625

IUPAC3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]cc1CO
InChIInChI=1S/C6H6FNO2/c7-5-2-8-1-4(3-9)6(5)10/h1-2,9H,3H2,(H,8,10)
InChIKeyHWEBQEAQZADPNI-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.01
Rot. Bonds1

About 3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one

3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 130781625) has the molecular formula C6H6FNO2 and a molecular weight of 143.12 g/mol. Its IUPAC name is 3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID130781625
Molecular FormulaC6H6FNO2
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]cc1CO
InChIInChI=1S/C6H6FNO2/c7-5-2-8-1-4(3-9)6(5)10/h1-2,9H,3H2,(H,8,10)
InChIKeyHWEBQEAQZADPNI-UHFFFAOYSA-N
XLogP0.01
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one (CID 130781625) is 3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one is O=c1c(F)c[nH]cc1CO.
What is the InChIKey of 3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is HWEBQEAQZADPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2/c7-5-2-8-1-4(3-9)6(5)10/h1-2,9H,3H2,(H,8,10).
What are the key properties of 3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one?
3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one has a molecular weight of 143.12 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130781625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).