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

C6H5F2NO3 — CID 130088811

IUPAC3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(O)c(O)c1C(F)F
InChIInChI=1S/C6H5F2NO3/c7-5(8)3-4(11)2(10)1-9-6(3)12/h1,5,10H,(H2,9,11,12)
InChIKeyCHRAKNIMJUGKQK-UHFFFAOYSA-N
MW177.11 g/mol
LogP0.72
Rot. Bonds1

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

3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one (PubChem CID 130088811) has the molecular formula C6H5F2NO3 and a molecular weight of 177.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one
PubChem CID130088811
Molecular FormulaC6H5F2NO3
Molecular Weight177.11 g/mol
Exact Mass177.02
IUPAC Name3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(O)c(O)c1C(F)F
InChIInChI=1S/C6H5F2NO3/c7-5(8)3-4(11)2(10)1-9-6(3)12/h1,5,10H,(H2,9,11,12)
InChIKeyCHRAKNIMJUGKQK-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 3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one (CID 130088811) is 3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one is O=c1[nH]cc(O)c(O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one?
The InChIKey is CHRAKNIMJUGKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3/c7-5(8)3-4(11)2(10)1-9-6(3)12/h1,5,10H,(H2,9,11,12).
What are the key properties of 3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one?
3-(difluoromethyl)-4,5-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 3-(difluoromethyl)-4,5-dihydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130088811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).