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

C7H7F2NO2 — CID 130097149

IUPAC3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(CO)c1C(F)F
InChIInChI=1S/C7H7F2NO2/c8-7(9)6-4(3-11)10-2-1-5(6)12/h1-2,7,11H,3H2,(H,10,12)
InChIKeyBXFCZCDVJPVJRX-UHFFFAOYSA-N
MW175.13 g/mol
LogP0.80
Rot. Bonds2

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

3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 130097149) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID130097149
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(CO)c1C(F)F
InChIInChI=1S/C7H7F2NO2/c8-7(9)6-4(3-11)10-2-1-5(6)12/h1-2,7,11H,3H2,(H,10,12)
InChIKeyBXFCZCDVJPVJRX-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 3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one (CID 130097149) is 3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one is O=c1cc[nH]c(CO)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is BXFCZCDVJPVJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c8-7(9)6-4(3-11)10-2-1-5(6)12/h1-2,7,11H,3H2,(H,10,12).
What are the key properties of 3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-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 3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130097149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).