6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one

C7H5BrClF2NO — CID 130072424

IUPAC6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(CBr)cc(Cl)c1C(F)F
InChIInChI=1S/C7H5BrClF2NO/c8-2-3-1-4(9)5(6(10)11)7(13)12-3/h1,6H,2H2,(H,12,13)
InChIKeyYMSNBTZKWXJWMK-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.86
Rot. Bonds2

About 6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one

6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 130072424) has the molecular formula C7H5BrClF2NO and a molecular weight of 272.48 g/mol. Its IUPAC name is 6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID130072424
Molecular FormulaC7H5BrClF2NO
Molecular Weight272.48 g/mol
Exact Mass270.92
IUPAC Name6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(CBr)cc(Cl)c1C(F)F
InChIInChI=1S/C7H5BrClF2NO/c8-2-3-1-4(9)5(6(10)11)7(13)12-3/h1,6H,2H2,(H,12,13)
InChIKeyYMSNBTZKWXJWMK-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 68505612
5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 90939917
5-chloro-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 105465487
3-Bromomethyl-2-hydroxy-6-(trifluoromethyl)pyridine
CID 118704048
2-(Bromomethyl)-4-chloro-3-(difluoromethyl)-6-hydroxypyridine
CID 118810013
2-(Bromomethyl)-5-(difluoromethyl)-6-hydroxy-3-iodopyridine
CID 118810069
4-Chloro-6-(difluoromethyl)-2-hydroxy-3-methylpyridine
CID 118816428
4-Chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-ol
CID 118817192
4-Bromo-6-(difluoromethyl)-2-hydroxypyridine-3-carbonyl chloride
CID 118833122
4-Bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-ol
CID 118833882
4-Bromo-6-(difluoromethyl)-3-methylpyridin-2-ol
CID 118834378
4-Chloro-6-(difluoromethyl)-2-hydroxynicotinamide
CID 118839451

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one (CID 130072424) is 6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(CBr)cc(Cl)c1C(F)F.
What is the InChIKey of 6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is YMSNBTZKWXJWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO/c8-2-3-1-4(9)5(6(10)11)7(13)12-3/h1,6H,2H2,(H,12,13).
What are the key properties of 6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 272.48 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130072424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).