6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile

C8H5BrF2N2O — CID 130076614

IUPAC6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(CBr)cc(=O)c1C(F)F
InChIInChI=1S/C8H5BrF2N2O/c9-2-4-1-6(14)7(8(10)11)5(3-12)13-4/h1,8H,2H2,(H,13,14)
InChIKeyOGLNQBIUJGPRJK-UHFFFAOYSA-N
MW263.04 g/mol
LogP2.08
Rot. Bonds2

About 6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile

6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 130076614) has the molecular formula C8H5BrF2N2O and a molecular weight of 263.04 g/mol. Its IUPAC name is 6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID130076614
Molecular FormulaC8H5BrF2N2O
Molecular Weight263.04 g/mol
Exact Mass261.96
IUPAC Name6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(CBr)cc(=O)c1C(F)F
InChIInChI=1S/C8H5BrF2N2O/c9-2-4-1-6(14)7(8(10)11)5(3-12)13-4/h1,8H,2H2,(H,13,14)
InChIKeyOGLNQBIUJGPRJK-UHFFFAOYSA-N
XLogP2.08
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.04
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 134685670
6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonamide
CID 119002683
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 118834494
6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
CID 130100155
3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 119017841
6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076657
6-(chloromethyl)-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
CID 130083739
6-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 118815822
6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile
CID 130076488
2-(bromomethyl)-5-fluoro-1H-pyridin-4-one
CID 131073258
6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085139
6-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
CID 130076831

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile (CID 130076614) is 6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(CBr)cc(=O)c1C(F)F.
What is the InChIKey of 6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is OGLNQBIUJGPRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2O/c9-2-4-1-6(14)7(8(10)11)5(3-12)13-4/h1,8H,2H2,(H,13,14).
What are the key properties of 6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 263.04 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 130076614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).