4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one

C6H5F2NO3 — CID 118846346

IUPAC4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(O)c(O)[nH]1
InChIInChI=1S/C6H5F2NO3/c7-5(8)2-1-3(10)9-6(12)4(2)11/h1,5,11H,(H2,9,10,12)
InChIKeyFMBUFGMKFIJSAW-UHFFFAOYSA-N
MW177.11 g/mol
LogP0.72
Rot. Bonds1

About 4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one

4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one (PubChem CID 118846346) has the molecular formula C6H5F2NO3 and a molecular weight of 177.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one
PubChem CID118846346
Molecular FormulaC6H5F2NO3
Molecular Weight177.11 g/mol
Exact Mass177.02
IUPAC Name4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(O)c(O)[nH]1
InChIInChI=1S/C6H5F2NO3/c7-5(8)2-1-3(10)9-6(12)4(2)11/h1,5,11H,(H2,9,10,12)
InChIKeyFMBUFGMKFIJSAW-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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one (CID 118846346) is 4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one is O=c1cc(C(F)F)c(O)c(O)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one?
The InChIKey is FMBUFGMKFIJSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3/c7-5(8)2-1-3(10)9-6(12)4(2)11/h1,5,11H,(H2,9,10,12).
What are the key properties of 4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one?
4-(difluoromethyl)-5,6-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 4-(difluoromethyl)-5,6-dihydroxy-1H-pyridin-2-one is sourced from PubChem (CID 118846346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).