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

C7H6F3NO2 — CID 118854377

IUPAC6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(F)c(CO)c(C(F)F)[nH]1
InChIInChI=1S/C7H6F3NO2/c8-4-1-5(13)11-6(7(9)10)3(4)2-12/h1,7,12H,2H2,(H,11,13)
InChIKeyYEKBPULSBHFEIR-UHFFFAOYSA-N
MW193.12 g/mol
LogP0.94
Rot. Bonds2

About 6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one

6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 118854377) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID118854377
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(F)c(CO)c(C(F)F)[nH]1
InChIInChI=1S/C7H6F3NO2/c8-4-1-5(13)11-6(7(9)10)3(4)2-12/h1,7,12H,2H2,(H,11,13)
InChIKeyYEKBPULSBHFEIR-UHFFFAOYSA-N
XLogP0.94
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 118803664
2-(difluoromethyl)-3-(hydroxymethyl)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130085372
6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 119016905
5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130082637
[4-(difluoromethyl)-2,6-difluorophenyl]methanol
CID 131189605
2-[4-(bromomethyl)-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetic acid
CID 130085027
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118849612
6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130096189
4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130079392
6-(difluoromethyl)-5-fluoro-4-iodo-1H-pyridin-2-one
CID 118826088
methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate
CID 130079678
4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 130100139

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one (CID 118854377) is 6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one is O=c1cc(F)c(CO)c(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is YEKBPULSBHFEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-4-1-5(13)11-6(7(9)10)3(4)2-12/h1,7,12H,2H2,(H,11,13).
What are the key properties of 6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one?
6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118854377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).