3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one

C7H6F3NO2 — CID 130079270

IUPAC3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)c(C(F)F)cc1F
InChIInChI=1S/C7H6F3NO2/c1-13-7-4(8)2-3(5(9)10)6(12)11-7/h2,5H,1H3,(H,11,12)
InChIKeyKZRGAIZUPUKKLY-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.46
Rot. Bonds2

About 3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one

3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one (PubChem CID 130079270) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one
PubChem CID130079270
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)c(C(F)F)cc1F
InChIInChI=1S/C7H6F3NO2/c1-13-7-4(8)2-3(5(9)10)6(12)11-7/h2,5H,1H3,(H,11,12)
InChIKeyKZRGAIZUPUKKLY-UHFFFAOYSA-N
XLogP1.46
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one
CID 130083169
6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one
CID 130104544
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
CID 130110164
5-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082597
3-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
CID 130072951
5-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 130084137
1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene
CID 130785750
methyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106315
5-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
CID 130079672
6-amino-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130104763
3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083807

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one (CID 130079270) is 3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one is COc1[nH]c(=O)c(C(F)F)cc1F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one?
The InChIKey is KZRGAIZUPUKKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-13-7-4(8)2-3(5(9)10)6(12)11-7/h2,5H,1H3,(H,11,12).
What are the key properties of 3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one?
3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130079270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).