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

C7H7F2NO3 — CID 118840787

IUPAC4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CO)c(C(F)F)c1O
InChIInChI=1S/C7H7F2NO3/c8-6(9)4-3(2-11)1-10-7(13)5(4)12/h1,6,11-12H,2H2,(H,10,13)
InChIKeyJQXRSGFXYUEHAV-UHFFFAOYSA-N
MW191.13 g/mol
LogP0.51
Rot. Bonds2

About 4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one

4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 118840787) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID118840787
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Name4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CO)c(C(F)F)c1O
InChIInChI=1S/C7H7F2NO3/c8-6(9)4-3(2-11)1-10-7(13)5(4)12/h1,6,11-12H,2H2,(H,10,13)
InChIKeyJQXRSGFXYUEHAV-UHFFFAOYSA-N
XLogP0.51
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one (CID 118840787) is 4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one is O=c1[nH]cc(CO)c(C(F)F)c1O.
What is the InChIKey of 4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is JQXRSGFXYUEHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3/c8-6(9)4-3(2-11)1-10-7(13)5(4)12/h1,6,11-12H,2H2,(H,10,13).
What are the key properties of 4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one?
4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 191.13 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118840787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).