5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one

C7H5BrClF2NO — CID 130110248

IUPAC5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(Br)c(CCl)[nH]1
InChIInChI=1S/C7H5BrClF2NO/c8-6-3(7(10)11)1-5(13)12-4(6)2-9/h1,7H,2H2,(H,12,13)
InChIKeyICVJKXFQXJZACE-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.81
Rot. Bonds2

About 5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one

5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 130110248) has the molecular formula C7H5BrClF2NO and a molecular weight of 272.48 g/mol. Its IUPAC name is 5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
PubChem CID130110248
Molecular FormulaC7H5BrClF2NO
Molecular Weight272.48 g/mol
Exact Mass270.92
IUPAC Name5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(Br)c(CCl)[nH]1
InChIInChI=1S/C7H5BrClF2NO/c8-6-3(7(10)11)1-5(13)12-4(6)2-9/h1,7H,2H2,(H,12,13)
InChIKeyICVJKXFQXJZACE-UHFFFAOYSA-N
XLogP2.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.81
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

6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118849612
4-bromo-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130110266
2-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118825861
6-(chloromethyl)-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 118843765
5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130104680
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130072565
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773
6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 130110088
3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104754
6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118808535
4-(chloromethyl)-5-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130084323
6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085050

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one (CID 130110248) is 5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)F)c(Br)c(CCl)[nH]1.
What is the InChIKey of 5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is ICVJKXFQXJZACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO/c8-6-3(7(10)11)1-5(13)12-4(6)2-9/h1,7H,2H2,(H,12,13).
What are the key properties of 5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one?
5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 272.48 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130110248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).