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

C7H7F2NO2 — CID 130100109

IUPAC6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]c(C(F)F)cc(=O)c1O
InChIInChI=1S/C7H7F2NO2/c1-3-6(12)5(11)2-4(10-3)7(8)9/h2,7,12H,1H3,(H,10,11)
InChIKeyLAYLTCZLZNTQNW-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.33
Rot. Bonds1

About 6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one

6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one (PubChem CID 130100109) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one
PubChem CID130100109
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]c(C(F)F)cc(=O)c1O
InChIInChI=1S/C7H7F2NO2/c1-3-6(12)5(11)2-4(10-3)7(8)9/h2,7,12H,1H3,(H,10,11)
InChIKeyLAYLTCZLZNTQNW-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 6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one (CID 130100109) is 6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one is Cc1[nH]c(C(F)F)cc(=O)c1O.
What is the InChIKey of 6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one?
The InChIKey is LAYLTCZLZNTQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c1-3-6(12)5(11)2-4(10-3)7(8)9/h2,7,12H,1H3,(H,10,11).
What are the key properties of 6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one?
6-(difluoromethyl)-3-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 6-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 130100109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).