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

C6H5F2NO3 — CID 118814776

IUPAC2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one
SMILESO=c1c(O)c[nH]c(C(F)F)c1O
InChIInChI=1S/C6H5F2NO3/c7-6(8)3-5(12)4(11)2(10)1-9-3/h1,6,10,12H,(H,9,11)
InChIKeyQYGVMAQJOAFAOS-UHFFFAOYSA-N
MW177.11 g/mol
LogP0.72
Rot. Bonds1

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

2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one (PubChem CID 118814776) has the molecular formula C6H5F2NO3 and a molecular weight of 177.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one
PubChem CID118814776
Molecular FormulaC6H5F2NO3
Molecular Weight177.11 g/mol
Exact Mass177.02
IUPAC Name2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one
SMILESO=c1c(O)c[nH]c(C(F)F)c1O
InChIInChI=1S/C6H5F2NO3/c7-6(8)3-5(12)4(11)2(10)1-9-3/h1,6,10,12H,(H,9,11)
InChIKeyQYGVMAQJOAFAOS-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 2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one (CID 118814776) is 2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one is O=c1c(O)c[nH]c(C(F)F)c1O.
What is the InChIKey of 2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one?
The InChIKey is QYGVMAQJOAFAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3/c7-6(8)3-5(12)4(11)2(10)1-9-3/h1,6,10,12H,(H,9,11).
What are the key properties of 2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one?
2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-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 2-(difluoromethyl)-3,5-dihydroxy-1H-pyridin-4-one is sourced from PubChem (CID 118814776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).