3-fluoro-4-methyl-1H-pyridin-2-one

C6H6FNO — CID 45116214

IUPAC3-fluoro-4-methyl-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1F
InChIInChI=1S/C6H6FNO/c1-4-2-3-8-6(9)5(4)7/h2-3H,1H3,(H,8,9)
InChIKeyNGFBYLSPYWFXKL-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.82
Rot. Bonds

About 3-fluoro-4-methyl-1H-pyridin-2-one

3-fluoro-4-methyl-1H-pyridin-2-one (PubChem CID 45116214) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-4-methyl-1H-pyridin-2-one
PubChem CID45116214
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name3-fluoro-4-methyl-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1F
InChIInChI=1S/C6H6FNO/c1-4-2-3-8-6(9)5(4)7/h2-3H,1H3,(H,8,9)
InChIKeyNGFBYLSPYWFXKL-UHFFFAOYSA-N
XLogP0.82
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Hydroxy-4-methylpyridine
CID 280741
2-Hydroxy-4-(trifluoromethyl)pyridine
CID 2775130
3-Fluoro-2-hydroxypyridine
CID 2783363
4-Fluoropyridin-2(1H)-one
CID 338459
3,4-Dimethylpyridin-2(1H)-one
CID 13140339
3-Fluoro-5-methyl-1,2-dihydropyridin-2-one
CID 12552277
3-Bromo-4-methylpyridin-2-ol
CID 13463813
3-Chloro-4-methylpyridin-2-ol
CID 20362753
3-Fluoro-4-(trifluoromethyl)pyridin-2-ol
CID 53435090
4-Fluoro-3-methylpyridin-2-ol
CID 72212936
3-Fluoro-1,2-dihydro-2-oxo-4-pyridinecarbonitrile
CID 55299064
4-(Aminomethyl)pyridin-2(1H)-one
CID 15079301

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-4-methyl-1H-pyridin-2-one (CID 45116214) is 3-fluoro-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-4-methyl-1H-pyridin-2-one is Cc1cc[nH]c(=O)c1F.
What is the InChIKey of 3-fluoro-4-methyl-1H-pyridin-2-one?
The InChIKey is NGFBYLSPYWFXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c1-4-2-3-8-6(9)5(4)7/h2-3H,1H3,(H,8,9).
What are the key properties of 3-fluoro-4-methyl-1H-pyridin-2-one?
3-fluoro-4-methyl-1H-pyridin-2-one has a molecular weight of 127.12 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 45116214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).