6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one

C7H7F2NO2 — CID 118848931

IUPAC6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1ccc(CO)c(C(F)F)[nH]1
InChIInChI=1S/C7H7F2NO2/c8-7(9)6-4(3-11)1-2-5(12)10-6/h1-2,7,11H,3H2,(H,10,12)
InChIKeyTVVWASJCLMATND-UHFFFAOYSA-N
MW175.13 g/mol
LogP0.80
Rot. Bonds2

About 6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one

6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 118848931) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID118848931
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1ccc(CO)c(C(F)F)[nH]1
InChIInChI=1S/C7H7F2NO2/c8-7(9)6-4(3-11)1-2-5(12)10-6/h1-2,7,11H,3H2,(H,10,12)
InChIKeyTVVWASJCLMATND-UHFFFAOYSA-N
XLogP0.80
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (CID 118848931) is 6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is O=c1ccc(CO)c(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is TVVWASJCLMATND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c8-7(9)6-4(3-11)1-2-5(12)10-6/h1-2,7,11H,3H2,(H,10,12).
What are the key properties of 6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 175.13 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118848931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).