4-fluoro-5-propan-2-yl-1H-pyridin-2-one

C8H10FNO — CID 122543528

IUPAC4-fluoro-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c[nH]c(=O)cc1F
InChIInChI=1S/C8H10FNO/c1-5(2)6-4-10-8(11)3-7(6)9/h3-5H,1-2H3,(H,10,11)
InChIKeyRIKPVHBYIJTEED-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.64
Rot. Bonds1

About 4-fluoro-5-propan-2-yl-1H-pyridin-2-one

4-fluoro-5-propan-2-yl-1H-pyridin-2-one (PubChem CID 122543528) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 4-fluoro-5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-5-propan-2-yl-1H-pyridin-2-one
PubChem CID122543528
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name4-fluoro-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c[nH]c(=O)cc1F
InChIInChI=1S/C8H10FNO/c1-5(2)6-4-10-8(11)3-7(6)9/h3-5H,1-2H3,(H,10,11)
InChIKeyRIKPVHBYIJTEED-UHFFFAOYSA-N
XLogP1.64
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-fluoro-5-propan-2-yl-1H-pyridin-2-one (CID 122543528) is 4-fluoro-5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-fluoro-5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-fluoro-5-propan-2-yl-1H-pyridin-2-one is CC(C)c1c[nH]c(=O)cc1F.
What is the InChIKey of 4-fluoro-5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is RIKPVHBYIJTEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-5(2)6-4-10-8(11)3-7(6)9/h3-5H,1-2H3,(H,10,11).
What are the key properties of 4-fluoro-5-propan-2-yl-1H-pyridin-2-one?
4-fluoro-5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 155.17 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 122543528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).