2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one

C7H5BrClF2NO — CID 118810009

IUPAC2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c(CBr)c1Cl
InChIInChI=1S/C7H5BrClF2NO/c8-1-4-5(9)6(13)3(2-12-4)7(10)11/h2,7H,1H2,(H,12,13)
InChIKeyQADYUGSFBNCJQA-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.86
Rot. Bonds2

About 2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one

2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one (PubChem CID 118810009) has the molecular formula C7H5BrClF2NO and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one
PubChem CID118810009
Molecular FormulaC7H5BrClF2NO
Molecular Weight272.48 g/mol
Exact Mass270.92
IUPAC Name2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c(CBr)c1Cl
InChIInChI=1S/C7H5BrClF2NO/c8-1-4-5(9)6(13)3(2-12-4)7(10)11/h2,7H,1H2,(H,12,13)
InChIKeyQADYUGSFBNCJQA-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

2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one
CID 175524473
2-(Aminomethyl)-5-chloro-3-(difluoromethyl)-4-hydroxypyridine
CID 118837067
2-Bromo-3-chloro-5-(difluoromethyl)pyridin-4-ol
CID 119012494
3-chloro-2-(difluoromethyl)-5-methyl-1H-pyridin-4-one
CID 130072315
3-chloro-5-(difluoromethyl)-2-methyl-1H-pyridin-4-one
CID 130072329
5-chloro-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
CID 130072330
5-chloro-2-(difluoromethyl)-3-methyl-1H-pyridin-4-one
CID 130072340
2-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one
CID 130072382
3-(aminomethyl)-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one
CID 130072403
5-(aminomethyl)-3-chloro-2-(difluoromethyl)-1H-pyridin-4-one
CID 130072408
2-(bromomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-4-one
CID 130072427
3-(bromomethyl)-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one
CID 130072446

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one (CID 118810009) is 2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one is O=c1c(C(F)F)c[nH]c(CBr)c1Cl.
What is the InChIKey of 2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one?
The InChIKey is QADYUGSFBNCJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO/c8-1-4-5(9)6(13)3(2-12-4)7(10)11/h2,7H,1H2,(H,12,13).
What are the key properties of 2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one?
2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-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 2-(bromomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118810009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).