5-tert-butyl-6-fluoro-1H-pyridin-2-one

C9H12FNO — CID 130252511

IUPAC5-tert-butyl-6-fluoro-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(=O)[nH]c1F
InChIInChI=1S/C9H12FNO/c1-9(2,3)6-4-5-7(12)11-8(6)10/h4-5H,1-3H3,(H,11,12)
InChIKeyFVNMDWGHAIKSAN-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.81
Rot. Bonds

About 5-tert-butyl-6-fluoro-1H-pyridin-2-one

5-tert-butyl-6-fluoro-1H-pyridin-2-one (PubChem CID 130252511) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-tert-butyl-6-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-tert-butyl-6-fluoro-1H-pyridin-2-one
PubChem CID130252511
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name5-tert-butyl-6-fluoro-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(=O)[nH]c1F
InChIInChI=1S/C9H12FNO/c1-9(2,3)6-4-5-7(12)11-8(6)10/h4-5H,1-3H3,(H,11,12)
InChIKeyFVNMDWGHAIKSAN-UHFFFAOYSA-N
XLogP1.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.81
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 5-tert-butyl-6-fluoro-1H-pyridin-2-one?
The IUPAC name of 5-tert-butyl-6-fluoro-1H-pyridin-2-one (CID 130252511) is 5-tert-butyl-6-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 5-tert-butyl-6-fluoro-1H-pyridin-2-one?
The canonical SMILES for 5-tert-butyl-6-fluoro-1H-pyridin-2-one is CC(C)(C)c1ccc(=O)[nH]c1F.
What is the InChIKey of 5-tert-butyl-6-fluoro-1H-pyridin-2-one?
The InChIKey is FVNMDWGHAIKSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-9(2,3)6-4-5-7(12)11-8(6)10/h4-5H,1-3H3,(H,11,12).
What are the key properties of 5-tert-butyl-6-fluoro-1H-pyridin-2-one?
5-tert-butyl-6-fluoro-1H-pyridin-2-one has a molecular weight of 169.20 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 130252511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).