2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one

C6H5F2NO2 — CID 67282325

IUPAC2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]cc1O
InChIInChI=1S/C6H5F2NO2/c7-6(8)3-1-4(10)5(11)2-9-3/h1-2,6,11H,(H,9,10)
InChIKeyINXKBVXAXSYTKO-UHFFFAOYSA-N
MW161.11 g/mol
LogP1.02
Rot. Bonds1

About 2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one

2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one (PubChem CID 67282325) has the molecular formula C6H5F2NO2 and a molecular weight of 161.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
PubChem CID67282325
Molecular FormulaC6H5F2NO2
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]cc1O
InChIInChI=1S/C6H5F2NO2/c7-6(8)3-1-4(10)5(11)2-9-3/h1-2,6,11H,(H,9,10)
InChIKeyINXKBVXAXSYTKO-UHFFFAOYSA-N
XLogP1.02
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one (CID 67282325) is 2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]cc1O.
What is the InChIKey of 2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one?
The InChIKey is INXKBVXAXSYTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2/c7-6(8)3-1-4(10)5(11)2-9-3/h1-2,6,11H,(H,9,10).
What are the key properties of 2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one?
2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one has a molecular weight of 161.11 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 67282325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).