3-fluoro-1,5-dimethylpyridin-2-one

C7H8FNO — CID 66924423

IUPAC3-fluoro-1,5-dimethylpyridin-2-one
SMILESCc1cc(F)c(=O)n(C)c1
InChIInChI=1S/C7H8FNO/c1-5-3-6(8)7(10)9(2)4-5/h3-4H,1-2H3
InChIKeyGANMPTKSZHAQRK-UHFFFAOYSA-N
MW141.14 g/mol
LogP0.83
Rot. Bonds

About 3-fluoro-1,5-dimethylpyridin-2-one

3-fluoro-1,5-dimethylpyridin-2-one (PubChem CID 66924423) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 3-fluoro-1,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-fluoro-1,5-dimethylpyridin-2-one
PubChem CID66924423
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name3-fluoro-1,5-dimethylpyridin-2-one
SMILESCc1cc(F)c(=O)n(C)c1
InChIInChI=1S/C7H8FNO/c1-5-3-6(8)7(10)9(2)4-5/h3-4H,1-2H3
InChIKeyGANMPTKSZHAQRK-UHFFFAOYSA-N
XLogP0.83
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,5-dimethylpyridin-2-one?
The IUPAC name of 3-fluoro-1,5-dimethylpyridin-2-one (CID 66924423) is 3-fluoro-1,5-dimethylpyridin-2-one.
What is the SMILES notation for 3-fluoro-1,5-dimethylpyridin-2-one?
The canonical SMILES for 3-fluoro-1,5-dimethylpyridin-2-one is Cc1cc(F)c(=O)n(C)c1.
What is the InChIKey of 3-fluoro-1,5-dimethylpyridin-2-one?
The InChIKey is GANMPTKSZHAQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-5-3-6(8)7(10)9(2)4-5/h3-4H,1-2H3.
What are the key properties of 3-fluoro-1,5-dimethylpyridin-2-one?
3-fluoro-1,5-dimethylpyridin-2-one has a molecular weight of 141.14 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,5-dimethylpyridin-2-one is sourced from PubChem (CID 66924423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).