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

C7H6F3NO2 — CID 130079591

IUPAC3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(CO)c1C(F)F
InChIInChI=1S/C7H6F3NO2/c8-4-1-11-7(13)5(6(9)10)3(4)2-12/h1,6,12H,2H2,(H,11,13)
InChIKeyRTUULSBKXZVMLC-UHFFFAOYSA-N
MW193.12 g/mol
LogP0.94
Rot. Bonds2

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

3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 130079591) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID130079591
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(CO)c1C(F)F
InChIInChI=1S/C7H6F3NO2/c8-4-1-11-7(13)5(6(9)10)3(4)2-12/h1,6,12H,2H2,(H,11,13)
InChIKeyRTUULSBKXZVMLC-UHFFFAOYSA-N
XLogP0.94
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085385
3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 130083415
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604
3-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130079585
4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 118805633
4-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 118817883
4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118812570
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
CID 130083413
3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130104845
2-[5-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridin-3-yl]acetic acid
CID 130079710
4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130084648

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one (CID 130079591) is 3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one is O=c1[nH]cc(F)c(CO)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is RTUULSBKXZVMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-4-1-11-7(13)5(6(9)10)3(4)2-12/h1,6,12H,2H2,(H,11,13).
What are the key properties of 3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one?
3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130079591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).