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

C11H16FNO — CID 146569437

IUPAC6-fluoro-1,3-di(propan-2-yl)pyridin-2-one
SMILESCC(C)c1ccc(F)n(C(C)C)c1=O
InChIInChI=1S/C11H16FNO/c1-7(2)9-5-6-10(12)13(8(3)4)11(9)14/h5-8H,1-4H3
InChIKeySMAAMGGTLMHCQY-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.69
Rot. Bonds2

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

6-fluoro-1,3-di(propan-2-yl)pyridin-2-one (PubChem CID 146569437) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 6-fluoro-1,3-di(propan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name6-fluoro-1,3-di(propan-2-yl)pyridin-2-one
PubChem CID146569437
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name6-fluoro-1,3-di(propan-2-yl)pyridin-2-one
SMILESCC(C)c1ccc(F)n(C(C)C)c1=O
InChIInChI=1S/C11H16FNO/c1-7(2)9-5-6-10(12)13(8(3)4)11(9)14/h5-8H,1-4H3
InChIKeySMAAMGGTLMHCQY-UHFFFAOYSA-N
XLogP2.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-di(propan-2-yl)pyridin-2-one?
The IUPAC name of 6-fluoro-1,3-di(propan-2-yl)pyridin-2-one (CID 146569437) is 6-fluoro-1,3-di(propan-2-yl)pyridin-2-one.
What is the SMILES notation for 6-fluoro-1,3-di(propan-2-yl)pyridin-2-one?
The canonical SMILES for 6-fluoro-1,3-di(propan-2-yl)pyridin-2-one is CC(C)c1ccc(F)n(C(C)C)c1=O.
What is the InChIKey of 6-fluoro-1,3-di(propan-2-yl)pyridin-2-one?
The InChIKey is SMAAMGGTLMHCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7(2)9-5-6-10(12)13(8(3)4)11(9)14/h5-8H,1-4H3.
What are the key properties of 6-fluoro-1,3-di(propan-2-yl)pyridin-2-one?
6-fluoro-1,3-di(propan-2-yl)pyridin-2-one has a molecular weight of 197.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3-di(propan-2-yl)pyridin-2-one is sourced from PubChem (CID 146569437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).