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

C7H7F2NO2 — CID 130100107

IUPAC3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]cc(O)c(=O)c1C(F)F
InChIInChI=1S/C7H7F2NO2/c1-3-5(7(8)9)6(12)4(11)2-10-3/h2,7,11H,1H3,(H,10,12)
InChIKeyNPQRHQXCODKFDR-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.33
Rot. Bonds1

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

3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one (PubChem CID 130100107) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one
PubChem CID130100107
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]cc(O)c(=O)c1C(F)F
InChIInChI=1S/C7H7F2NO2/c1-3-5(7(8)9)6(12)4(11)2-10-3/h2,7,11H,1H3,(H,10,12)
InChIKeyNPQRHQXCODKFDR-UHFFFAOYSA-N
XLogP1.33
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one?
The IUPAC name of 3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one (CID 130100107) is 3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one is Cc1[nH]cc(O)c(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one?
The InChIKey is NPQRHQXCODKFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c1-3-5(7(8)9)6(12)4(11)2-10-3/h2,7,11H,1H3,(H,10,12).
What are the key properties of 3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one?
3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one has a molecular weight of 175.13 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 130100107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).