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

C7H5BrF2N2O3 — CID 130084284

IUPAC3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c([N+](=O)[O-])c1CBr
InChIInChI=1S/C7H5BrF2N2O3/c8-2-3-5(13)1-4(6(9)10)11-7(3)12(14)15/h1,6H,2H2,(H,11,13)
InChIKeyGDZLPGBQDXZLKM-UHFFFAOYSA-N
MW283.03 g/mol
LogP2.12
Rot. Bonds3

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

3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one (PubChem CID 130084284) has the molecular formula C7H5BrF2N2O3 and a molecular weight of 283.03 g/mol. Its IUPAC name is 3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one
PubChem CID130084284
Molecular FormulaC7H5BrF2N2O3
Molecular Weight283.03 g/mol
Exact Mass281.95
IUPAC Name3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c([N+](=O)[O-])c1CBr
InChIInChI=1S/C7H5BrF2N2O3/c8-2-3-5(13)1-4(6(9)10)11-7(3)12(14)15/h1,6H,2H2,(H,11,13)
InChIKeyGDZLPGBQDXZLKM-UHFFFAOYSA-N
XLogP2.12
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.03
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one
CID 130110150
6-(difluoromethyl)-3-hydroxy-2-nitro-1H-pyridin-4-one
CID 130100125
3-(bromomethyl)-2-(difluoromethyl)-6-nitro-1H-pyridin-4-one
CID 130084252
3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130084616
2-[6-(difluoromethyl)-4-nitro-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133102694
2-[2-bromo-6-(difluoromethyl)-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 130110321
ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate
CID 133103048
5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130110143
5-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-carbaldehyde
CID 130084413
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-1H-pyridin-4-one
CID 118826908
5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130100163
2-amino-6-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 119007865

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one?
The IUPAC name of 3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one (CID 130084284) is 3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one.
What is the SMILES notation for 3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one?
The canonical SMILES for 3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]c([N+](=O)[O-])c1CBr.
What is the InChIKey of 3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one?
The InChIKey is GDZLPGBQDXZLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O3/c8-2-3-5(13)1-4(6(9)10)11-7(3)12(14)15/h1,6H,2H2,(H,11,13).
What are the key properties of 3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one?
3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one has a molecular weight of 283.03 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one is sourced from PubChem (CID 130084284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).