6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one

C8H8BrF2NO — CID 118804463

IUPAC6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)cc(=O)[nH]c1CBr
InChIInChI=1S/C8H8BrF2NO/c1-4-5(8(10)11)2-7(13)12-6(4)3-9/h2,8H,3H2,1H3,(H,12,13)
InChIKeyLKQSGPGBQZERRI-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.52
Rot. Bonds2

About 6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one

6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one (PubChem CID 118804463) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
PubChem CID118804463
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)cc(=O)[nH]c1CBr
InChIInChI=1S/C8H8BrF2NO/c1-4-5(8(10)11)2-7(13)12-6(4)3-9/h2,8H,3H2,1H3,(H,12,13)
InChIKeyLKQSGPGBQZERRI-UHFFFAOYSA-N
XLogP2.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-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 6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one (CID 118804463) is 6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one is Cc1c(C(F)F)cc(=O)[nH]c1CBr.
What is the InChIKey of 6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The InChIKey is LKQSGPGBQZERRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-4-5(8(10)11)2-7(13)12-6(4)3-9/h2,8H,3H2,1H3,(H,12,13).
What are the key properties of 6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one has a molecular weight of 252.06 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118804463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).