5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one

C11H16FNO — CID 164837312

IUPAC5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)c(C(C)C)cc1F
InChIInChI=1S/C11H16FNO/c1-6(2)8-5-9(12)10(7(3)4)13-11(8)14/h5-7H,1-4H3,(H,13,14)
InChIKeyUYEYMWAXOSGQIL-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.76
Rot. Bonds2

About 5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one

5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one (PubChem CID 164837312) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one
PubChem CID164837312
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)c(C(C)C)cc1F
InChIInChI=1S/C11H16FNO/c1-6(2)8-5-9(12)10(7(3)4)13-11(8)14/h5-7H,1-4H3,(H,13,14)
InChIKeyUYEYMWAXOSGQIL-UHFFFAOYSA-N
XLogP2.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one (CID 164837312) is 5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one is CC(C)c1[nH]c(=O)c(C(C)C)cc1F.
What is the InChIKey of 5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one?
The InChIKey is UYEYMWAXOSGQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-6(2)8-5-9(12)10(7(3)4)13-11(8)14/h5-7H,1-4H3,(H,13,14).
What are the key properties of 5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one?
5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one has a molecular weight of 197.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,6-di(propan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 164837312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).