5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one

C6H6FNO2 — CID 130781626

IUPAC5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc(CO)[nH]cc1F
InChIInChI=1S/C6H6FNO2/c7-5-2-8-4(3-9)1-6(5)10/h1-2,9H,3H2,(H,8,10)
InChIKeyMOGXPYAUFFALTQ-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.01
Rot. Bonds1

About 5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one

5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 130781626) has the molecular formula C6H6FNO2 and a molecular weight of 143.12 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID130781626
Molecular FormulaC6H6FNO2
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc(CO)[nH]cc1F
InChIInChI=1S/C6H6FNO2/c7-5-2-8-4(3-9)1-6(5)10/h1-2,9H,3H2,(H,8,10)
InChIKeyMOGXPYAUFFALTQ-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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Related Compounds

2-(bromomethyl)-5-fluoro-1H-pyridin-4-one
CID 131073258
5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130893492
2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
CID 82063845
N-cyclopentyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
CID 82063866
2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one
CID 82063884
3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130079591
barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride
CID 175782399
5-(difluoromethyl)-2-(fluoromethyl)-1H-pyridin-4-one
CID 130097101
2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one
CID 167906301
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol
CID 113336351
4-(chloromethyl)-5-fluoro-1H-pyridin-2-one
CID 118990056
5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
CID 106218429

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one (CID 130781626) is 5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one is O=c1cc(CO)[nH]cc1F.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is MOGXPYAUFFALTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2/c7-5-2-8-4(3-9)1-6(5)10/h1-2,9H,3H2,(H,8,10).
What are the key properties of 5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one?
5-fluoro-2-(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 5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130781626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).