3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one

C9H12FNO — CID 177039417

IUPAC3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(C(C)C)c(F)c(=O)[nH]1
InChIInChI=1S/C9H12FNO/c1-5(2)7-4-6(3)11-9(12)8(7)10/h4-5H,1-3H3,(H,11,12)
InChIKeyJRHFOOFAJXIHBR-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.95
Rot. Bonds1

About 3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one

3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one (PubChem CID 177039417) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one
PubChem CID177039417
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(C(C)C)c(F)c(=O)[nH]1
InChIInChI=1S/C9H12FNO/c1-5(2)7-4-6(3)11-9(12)8(7)10/h4-5H,1-3H3,(H,11,12)
InChIKeyJRHFOOFAJXIHBR-UHFFFAOYSA-N
XLogP1.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one (CID 177039417) is 3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one is Cc1cc(C(C)C)c(F)c(=O)[nH]1.
What is the InChIKey of 3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one?
The InChIKey is JRHFOOFAJXIHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-5(2)7-4-6(3)11-9(12)8(7)10/h4-5H,1-3H3,(H,11,12).
What are the key properties of 3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one?
3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one has a molecular weight of 169.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-4-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 177039417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).