5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one

C6H5F2NO3 — CID 130088807

IUPAC5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(O)c1O
InChIInChI=1S/C6H5F2NO3/c7-5(8)2-1-9-6(12)4(11)3(2)10/h1,5,11H,(H2,9,10,12)
InChIKeyQDVCAFGZAWUEJX-UHFFFAOYSA-N
MW177.11 g/mol
LogP0.72
Rot. Bonds1

About 5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one

5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one (PubChem CID 130088807) has the molecular formula C6H5F2NO3 and a molecular weight of 177.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
PubChem CID130088807
Molecular FormulaC6H5F2NO3
Molecular Weight177.11 g/mol
Exact Mass177.02
IUPAC Name5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(O)c1O
InChIInChI=1S/C6H5F2NO3/c7-5(8)2-1-9-6(12)4(11)3(2)10/h1,5,11H,(H2,9,10,12)
InChIKeyQDVCAFGZAWUEJX-UHFFFAOYSA-N
XLogP0.72
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.11
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethylhydroxypyridone
CID 54335114
2,3-Dihydroxy-5-(trifluoromethyl)pyridine
CID 66872287
2,3-Dihydroxy-4-(trifluoromethyl)pyridine
CID 118704237
3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
CID 144476432
boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
CID 158407453
2,4-Dihydroxy-5-(trifluoromethyl)pyridine
CID 118704240
4-Bromo-5-(difluoromethyl)pyridine-2,3-diol
CID 118800462
4-(Difluoromethyl)-5-fluoropyridine-2,3-diol
CID 118800597
4-(Difluoromethyl)-5-methylpyridine-2,3-diol
CID 118806228
4-(Difluoromethyl)-5-iodopyridine-2,3-diol
CID 118806892
4-(Difluoromethyl)pyridine-2,3-diol
CID 118811871
4-(Aminomethyl)-5-(difluoromethyl)pyridine-2,3-diol
CID 118812905

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one (CID 130088807) is 5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one is O=c1[nH]cc(C(F)F)c(O)c1O.
What is the InChIKey of 5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one?
The InChIKey is QDVCAFGZAWUEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3/c7-5(8)2-1-9-6(12)4(11)3(2)10/h1,5,11H,(H2,9,10,12).
What are the key properties of 5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one?
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one has a molecular weight of 177.11 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130088807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).