5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one

C6H3BrF2N2O3 — CID 130110143

IUPAC5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
SMILESO=c1[nH]c([N+](=O)[O-])c(Br)cc1C(F)F
InChIInChI=1S/C6H3BrF2N2O3/c7-3-1-2(4(8)9)6(12)10-5(3)11(13)14/h1,4H,(H,10,12)
InChIKeyQVOZLUKWBFOZNJ-UHFFFAOYSA-N
MW269.00 g/mol
LogP1.98
Rot. Bonds2

About 5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one

5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one (PubChem CID 130110143) has the molecular formula C6H3BrF2N2O3 and a molecular weight of 269.00 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
PubChem CID130110143
Molecular FormulaC6H3BrF2N2O3
Molecular Weight269.00 g/mol
Exact Mass267.93
IUPAC Name5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
SMILESO=c1[nH]c([N+](=O)[O-])c(Br)cc1C(F)F
InChIInChI=1S/C6H3BrF2N2O3/c7-3-1-2(4(8)9)6(12)10-5(3)11(13)14/h1,4H,(H,10,12)
InChIKeyQVOZLUKWBFOZNJ-UHFFFAOYSA-N
XLogP1.98
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.00
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(difluoromethyl)-2-nitro-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084342
3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130110439
ethyl 5-(difluoromethyl)-2-nitro-6-oxo-1H-pyridine-3-carboxylate
CID 133103109
3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one
CID 130083169
5-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130097010
3-bromo-6-(difluoromethyl)-2-nitro-1H-pyridin-4-one
CID 130110150
3-bromo-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
CID 130109294
ethyl 2-[5-(difluoromethyl)-6-nitro-2-oxo-1H-pyridin-3-yl]acetate
CID 133103191
6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 119013283
1-bromo-2-(difluoromethyl)-4-nitrobenzene
CID 122515601
3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide
CID 133102990
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one (CID 130110143) is 5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one is O=c1[nH]c([N+](=O)[O-])c(Br)cc1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one?
The InChIKey is QVOZLUKWBFOZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2N2O3/c7-3-1-2(4(8)9)6(12)10-5(3)11(13)14/h1,4H,(H,10,12).
What are the key properties of 5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one?
5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one has a molecular weight of 269.00 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one is sourced from PubChem (CID 130110143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).