2-(bromomethyl)-5-fluoro-1H-pyridin-4-one

C6H5BrFNO — CID 131073258

IUPAC2-(bromomethyl)-5-fluoro-1H-pyridin-4-one
SMILESO=c1cc(CBr)[nH]cc1F
InChIInChI=1S/C6H5BrFNO/c7-2-4-1-6(10)5(8)3-9-4/h1,3H,2H2,(H,9,10)
InChIKeyQIIORRLYZWWYBC-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.41
Rot. Bonds1

About 2-(bromomethyl)-5-fluoro-1H-pyridin-4-one

2-(bromomethyl)-5-fluoro-1H-pyridin-4-one (PubChem CID 131073258) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 2-(bromomethyl)-5-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(bromomethyl)-5-fluoro-1H-pyridin-4-one
PubChem CID131073258
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name2-(bromomethyl)-5-fluoro-1H-pyridin-4-one
SMILESO=c1cc(CBr)[nH]cc1F
InChIInChI=1S/C6H5BrFNO/c7-2-4-1-6(10)5(8)3-9-4/h1,3H,2H2,(H,9,10)
InChIKeyQIIORRLYZWWYBC-UHFFFAOYSA-N
XLogP1.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130781626
2-(bromomethyl)-5-octadecoxy-1H-pyridin-4-one
CID 19019338
5-(difluoromethyl)-2-(fluoromethyl)-1H-pyridin-4-one
CID 130097101
6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076614
4-(chloromethyl)-5-fluoro-1H-pyridin-2-one
CID 118990056
5-bromo-4-fluoro-1H-pyridin-2-one
CID 118408416
2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130079409
barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride
CID 175782399
2-(2-benzylphenyl)-5-fluoro-1H-pyridin-4-one
CID 167906301
5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130893492
alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate
CID 174923664
3,4,5-trifluoro-1H-pyridin-2-one
CID 22133596

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-fluoro-1H-pyridin-4-one?
The IUPAC name of 2-(bromomethyl)-5-fluoro-1H-pyridin-4-one (CID 131073258) is 2-(bromomethyl)-5-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 2-(bromomethyl)-5-fluoro-1H-pyridin-4-one?
The canonical SMILES for 2-(bromomethyl)-5-fluoro-1H-pyridin-4-one is O=c1cc(CBr)[nH]cc1F.
What is the InChIKey of 2-(bromomethyl)-5-fluoro-1H-pyridin-4-one?
The InChIKey is QIIORRLYZWWYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c7-2-4-1-6(10)5(8)3-9-4/h1,3H,2H2,(H,9,10).
What are the key properties of 2-(bromomethyl)-5-fluoro-1H-pyridin-4-one?
2-(bromomethyl)-5-fluoro-1H-pyridin-4-one has a molecular weight of 206.01 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 131073258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).