6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one

C7H5BrF3NO — CID 130079410

IUPAC6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(CBr)c(C(F)F)cc1F
InChIInChI=1S/C7H5BrF3NO/c8-2-5-3(6(10)11)1-4(9)7(13)12-5/h1,6H,2H2,(H,12,13)
InChIKeyURQHJFBYIIDBCO-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.35
Rot. Bonds2

About 6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one

6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one (PubChem CID 130079410) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
PubChem CID130079410
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(CBr)c(C(F)F)cc1F
InChIInChI=1S/C7H5BrF3NO/c8-2-5-3(6(10)11)1-4(9)7(13)12-5/h1,6H,2H2,(H,12,13)
InChIKeyURQHJFBYIIDBCO-UHFFFAOYSA-N
XLogP2.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.35
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-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084830
6-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 118815822
2-[5-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084748
5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130104680
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 118847990
6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 118802906
2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130110337
3-(aminomethyl)-6-bromo-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110189
3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104754
5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
CID 130110164
3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one
CID 130079270
2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130079409

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one (CID 130079410) is 6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one is O=c1[nH]c(CBr)c(C(F)F)cc1F.
What is the InChIKey of 6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
The InChIKey is URQHJFBYIIDBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-2-5-3(6(10)11)1-4(9)7(13)12-5/h1,6H,2H2,(H,12,13).
What are the key properties of 6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one?
6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one has a molecular weight of 256.02 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 130079410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).