2-fluoro-6-methyl-1H-pyridin-4-one

C6H6FNO — CID 53485196

IUPAC2-fluoro-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(F)[nH]1
InChIInChI=1S/C6H6FNO/c1-4-2-5(9)3-6(7)8-4/h2-3H,1H3,(H,8,9)
InChIKeyLADSKNVNWBCACR-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.82
Rot. Bonds

About 2-fluoro-6-methyl-1H-pyridin-4-one

2-fluoro-6-methyl-1H-pyridin-4-one (PubChem CID 53485196) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 2-fluoro-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-fluoro-6-methyl-1H-pyridin-4-one
PubChem CID53485196
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name2-fluoro-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)cc(F)[nH]1
InChIInChI=1S/C6H6FNO/c1-4-2-5(9)3-6(7)8-4/h2-3H,1H3,(H,8,9)
InChIKeyLADSKNVNWBCACR-UHFFFAOYSA-N
XLogP0.82
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-methyl-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-fluoro-6-methyl-1H-pyridin-4-one (CID 53485196) is 2-fluoro-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-fluoro-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-fluoro-6-methyl-1H-pyridin-4-one is Cc1cc(=O)cc(F)[nH]1.
What is the InChIKey of 2-fluoro-6-methyl-1H-pyridin-4-one?
The InChIKey is LADSKNVNWBCACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c1-4-2-5(9)3-6(7)8-4/h2-3H,1H3,(H,8,9).
What are the key properties of 2-fluoro-6-methyl-1H-pyridin-4-one?
2-fluoro-6-methyl-1H-pyridin-4-one has a molecular weight of 127.12 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 53485196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).