3-fluoro-5,6-dimethyl-1H-pyridin-2-one

C7H8FNO — CID 167127595

IUPAC3-fluoro-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(F)c(=O)[nH]c1C
InChIInChI=1S/C7H8FNO/c1-4-3-6(8)7(10)9-5(4)2/h3H,1-2H3,(H,9,10)
InChIKeyXLCOMIOHXNHTFP-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.13
Rot. Bonds

About 3-fluoro-5,6-dimethyl-1H-pyridin-2-one

3-fluoro-5,6-dimethyl-1H-pyridin-2-one (PubChem CID 167127595) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 3-fluoro-5,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-5,6-dimethyl-1H-pyridin-2-one
PubChem CID167127595
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name3-fluoro-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(F)c(=O)[nH]c1C
InChIInChI=1S/C7H8FNO/c1-4-3-6(8)7(10)9-5(4)2/h3H,1-2H3,(H,9,10)
InChIKeyXLCOMIOHXNHTFP-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-5,6-dimethyl-1H-pyridin-2-one (CID 167127595) is 3-fluoro-5,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-5,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-5,6-dimethyl-1H-pyridin-2-one is Cc1cc(F)c(=O)[nH]c1C.
What is the InChIKey of 3-fluoro-5,6-dimethyl-1H-pyridin-2-one?
The InChIKey is XLCOMIOHXNHTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-4-3-6(8)7(10)9-5(4)2/h3H,1-2H3,(H,9,10).
What are the key properties of 3-fluoro-5,6-dimethyl-1H-pyridin-2-one?
3-fluoro-5,6-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 3-fluoro-5,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 167127595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).