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

C8H9F2NO2 — CID 130083881

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]cc(C(F)F)c(=O)c1CO
InChIInChI=1S/C8H9F2NO2/c1-4-6(3-12)7(13)5(2-11-4)8(9)10/h2,8,12H,3H2,1H3,(H,11,13)
InChIKeyUBKLXCUQZJIJQN-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.11
Rot. Bonds2

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

5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one (PubChem CID 130083881) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one
PubChem CID130083881
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]cc(C(F)F)c(=O)c1CO
InChIInChI=1S/C8H9F2NO2/c1-4-6(3-12)7(13)5(2-11-4)8(9)10/h2,8,12H,3H2,1H3,(H,11,13)
InChIKeyUBKLXCUQZJIJQN-UHFFFAOYSA-N
XLogP1.11
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one (CID 130083881) is 5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one is Cc1[nH]cc(C(F)F)c(=O)c1CO.
What is the InChIKey of 5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is UBKLXCUQZJIJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-4-6(3-12)7(13)5(2-11-4)8(9)10/h2,8,12H,3H2,1H3,(H,11,13).
What are the key properties of 5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one?
5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 189.16 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 130083881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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