5-fluoro-3,4-dimethyl-1H-pyridin-2-one

C7H8FNO — CID 83668982

IUPAC5-fluoro-3,4-dimethyl-1H-pyridin-2-one
SMILESCc1c(F)c[nH]c(=O)c1C
InChIInChI=1S/C7H8FNO/c1-4-5(2)7(10)9-3-6(4)8/h3H,1-2H3,(H,9,10)
InChIKeyIGDTVCOERAGIJH-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.13
Rot. Bonds

About 5-fluoro-3,4-dimethyl-1H-pyridin-2-one

5-fluoro-3,4-dimethyl-1H-pyridin-2-one (PubChem CID 83668982) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 5-fluoro-3,4-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3,4-dimethyl-1H-pyridin-2-one
PubChem CID83668982
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name5-fluoro-3,4-dimethyl-1H-pyridin-2-one
SMILESCc1c(F)c[nH]c(=O)c1C
InChIInChI=1S/C7H8FNO/c1-4-5(2)7(10)9-3-6(4)8/h3H,1-2H3,(H,9,10)
InChIKeyIGDTVCOERAGIJH-UHFFFAOYSA-N
XLogP1.13
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dimethylpyridin-2(1H)-one
CID 13140339
3,5-Dimethyl-1,2-dihydropyridin-2-one
CID 12348538
4-Fluoro-3-methylpyridin-2-ol
CID 72212936
4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one
CID 19791179
3-Methyl-5-(trifluoromethyl)pyridin-2(1H)-one
CID 23049003
3-fluoro-4-methylpyridin-2(1H)-one
CID 45116214
5-Methyl-3-(trifluoromethyl)pyridin-2-ol
CID 59420216
5-Fluoro-3-methylpyridin-2-OL
CID 60150205
3,4,5-tris(fluoromethyl)-1H-pyridin-2-one
CID 67155112
3,5-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 67612989
3-ethyl-5-fluoro-1H-pyridin-2-one
CID 68075676
5-Fluoro-2-hydroxy-4-methylpyridine
CID 68205788

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,4-dimethyl-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3,4-dimethyl-1H-pyridin-2-one (CID 83668982) is 5-fluoro-3,4-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3,4-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3,4-dimethyl-1H-pyridin-2-one is Cc1c(F)c[nH]c(=O)c1C.
What is the InChIKey of 5-fluoro-3,4-dimethyl-1H-pyridin-2-one?
The InChIKey is IGDTVCOERAGIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-4-5(2)7(10)9-3-6(4)8/h3H,1-2H3,(H,9,10).
What are the key properties of 5-fluoro-3,4-dimethyl-1H-pyridin-2-one?
5-fluoro-3,4-dimethyl-1H-pyridin-2-one has a molecular weight of 141.14 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,4-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 83668982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).