6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one

C9H12FNO — CID 122543517

IUPAC6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(C(C)C)c(F)[nH]c1=O
InChIInChI=1S/C9H12FNO/c1-5(2)7-4-6(3)9(12)11-8(7)10/h4-5H,1-3H3,(H,11,12)
InChIKeyIHHANVYMDSUREM-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.95
Rot. Bonds1

About 6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one

6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one (PubChem CID 122543517) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one
PubChem CID122543517
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(C(C)C)c(F)[nH]c1=O
InChIInChI=1S/C9H12FNO/c1-5(2)7-4-6(3)9(12)11-8(7)10/h4-5H,1-3H3,(H,11,12)
InChIKeyIHHANVYMDSUREM-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

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-3-methyl-5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one (CID 122543517) is 6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one is Cc1cc(C(C)C)c(F)[nH]c1=O.
What is the InChIKey of 6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is IHHANVYMDSUREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-5(2)7-4-6(3)9(12)11-8(7)10/h4-5H,1-3H3,(H,11,12).
What are the key properties of 6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one?
6-fluoro-3-methyl-5-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 6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 122543517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).