5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one

C6H5F2NO2 — CID 130094525

IUPAC5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)cc1O
InChIInChI=1S/C6H5F2NO2/c7-5(8)3-1-4(10)6(11)9-2-3/h1-2,5,10H,(H,9,11)
InChIKeyHENVXRMLCGHMTL-UHFFFAOYSA-N
MW161.11 g/mol
LogP1.02
Rot. Bonds1

About 5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one

5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one (PubChem CID 130094525) has the molecular formula C6H5F2NO2 and a molecular weight of 161.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one
PubChem CID130094525
Molecular FormulaC6H5F2NO2
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)cc1O
InChIInChI=1S/C6H5F2NO2/c7-5(8)3-1-4(10)6(11)9-2-3/h1-2,5,10H,(H,9,11)
InChIKeyHENVXRMLCGHMTL-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 5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one (CID 130094525) is 5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(C(F)F)cc1O.
What is the InChIKey of 5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one?
The InChIKey is HENVXRMLCGHMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2/c7-5(8)3-1-4(10)6(11)9-2-3/h1-2,5,10H,(H,9,11).
What are the key properties of 5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one?
5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-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 5-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130094525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).