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

C8H10FNO — CID 134168269

IUPAC3-fluoro-5-propan-2-yl-1H-pyridin-4-one
SMILESCC(C)c1c[nH]cc(F)c1=O
InChIInChI=1S/C8H10FNO/c1-5(2)6-3-10-4-7(9)8(6)11/h3-5H,1-2H3,(H,10,11)
InChIKeyNTPOTRBUJBIXTP-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.64
Rot. Bonds1

About 3-fluoro-5-propan-2-yl-1H-pyridin-4-one

3-fluoro-5-propan-2-yl-1H-pyridin-4-one (PubChem CID 134168269) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 3-fluoro-5-propan-2-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-5-propan-2-yl-1H-pyridin-4-one
PubChem CID134168269
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name3-fluoro-5-propan-2-yl-1H-pyridin-4-one
SMILESCC(C)c1c[nH]cc(F)c1=O
InChIInChI=1S/C8H10FNO/c1-5(2)6-3-10-4-7(9)8(6)11/h3-5H,1-2H3,(H,10,11)
InChIKeyNTPOTRBUJBIXTP-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 3-fluoro-5-propan-2-yl-1H-pyridin-4-one?
The IUPAC name of 3-fluoro-5-propan-2-yl-1H-pyridin-4-one (CID 134168269) is 3-fluoro-5-propan-2-yl-1H-pyridin-4-one.
What is the SMILES notation for 3-fluoro-5-propan-2-yl-1H-pyridin-4-one?
The canonical SMILES for 3-fluoro-5-propan-2-yl-1H-pyridin-4-one is CC(C)c1c[nH]cc(F)c1=O.
What is the InChIKey of 3-fluoro-5-propan-2-yl-1H-pyridin-4-one?
The InChIKey is NTPOTRBUJBIXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-5(2)6-3-10-4-7(9)8(6)11/h3-5H,1-2H3,(H,10,11).
What are the key properties of 3-fluoro-5-propan-2-yl-1H-pyridin-4-one?
3-fluoro-5-propan-2-yl-1H-pyridin-4-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 3-fluoro-5-propan-2-yl-1H-pyridin-4-one is sourced from PubChem (CID 134168269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).