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

C7H8FNO — CID 151411047

IUPAC3-fluoro-4,5-dimethyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(F)c1C
InChIInChI=1S/C7H8FNO/c1-4-3-9-7(10)6(8)5(4)2/h3H,1-2H3,(H,9,10)
InChIKeyOYNMXQSYIDPAKX-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.13
Rot. Bonds

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

3-fluoro-4,5-dimethyl-1H-pyridin-2-one (PubChem CID 151411047) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 3-fluoro-4,5-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-4,5-dimethyl-1H-pyridin-2-one
PubChem CID151411047
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name3-fluoro-4,5-dimethyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(F)c1C
InChIInChI=1S/C7H8FNO/c1-4-3-9-7(10)6(8)5(4)2/h3H,1-2H3,(H,9,10)
InChIKeyOYNMXQSYIDPAKX-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-4,5-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-4,5-dimethyl-1H-pyridin-2-one (CID 151411047) is 3-fluoro-4,5-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-4,5-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-4,5-dimethyl-1H-pyridin-2-one is Cc1c[nH]c(=O)c(F)c1C.
What is the InChIKey of 3-fluoro-4,5-dimethyl-1H-pyridin-2-one?
The InChIKey is OYNMXQSYIDPAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-4-3-9-7(10)6(8)5(4)2/h3H,1-2H3,(H,9,10).
What are the key properties of 3-fluoro-4,5-dimethyl-1H-pyridin-2-one?
3-fluoro-4,5-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-4,5-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 151411047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).