4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride

C7H3BrClF2NO2 — CID 118833122

IUPAC4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(Br)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H3BrClF2NO2/c8-2-1-3(6(10)11)12-7(14)4(2)5(9)13/h1,6H,(H,12,14)
InChIKeyVPWMOFRIWPVYFL-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.45
Rot. Bonds2

About 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride

4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118833122) has the molecular formula C7H3BrClF2NO2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118833122
Molecular FormulaC7H3BrClF2NO2
Molecular Weight286.46 g/mol
Exact Mass284.90
IUPAC Name4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(Br)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H3BrClF2NO2/c8-2-1-3(6(10)11)12-7(14)4(2)5(9)13/h1,6H,(H,12,14)
InChIKeyVPWMOFRIWPVYFL-UHFFFAOYSA-N
XLogP2.45
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-6-(trifluoromethyl)nicotinoyl chloride
CID 2775118
4-Bromo-6-(difluoromethyl)-2-hydroxynicotinamide
CID 118828655
4-Amino-6-(difluoromethyl)-2-hydroxynicotinoyl chloride
CID 118829139
4-Bromo-5-(difluoromethyl)-6-hydroxypicolinoyl chloride
CID 118845360
6-(bromomethyl)-4-chloro-3-(difluoromethyl)-1H-pyridin-2-one
CID 130072424
5-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130072818
4-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130072831
6-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079729
6-(difluoromethyl)-4-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079732
6-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130082985
6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130097234
5-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130105017

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride (CID 118833122) is 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c(Br)cc(C(F)F)[nH]c1=O.
What is the InChIKey of 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is VPWMOFRIWPVYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF2NO2/c8-2-1-3(6(10)11)12-7(14)4(2)5(9)13/h1,6H,(H,12,14).
What are the key properties of 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride?
4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 286.46 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118833122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).