3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride

C7H3BrClF2NO2 — CID 130110581

IUPAC3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1[nH]c(=O)c(C(F)F)cc1Br
InChIInChI=1S/C7H3BrClF2NO2/c8-3-1-2(6(10)11)7(14)12-4(3)5(9)13/h1,6H,(H,12,14)
InChIKeyFFHUAULAILUGMN-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.45
Rot. Bonds2

About 3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride

3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride (PubChem CID 130110581) has the molecular formula C7H3BrClF2NO2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
PubChem CID130110581
Molecular FormulaC7H3BrClF2NO2
Molecular Weight286.46 g/mol
Exact Mass284.90
IUPAC Name3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1[nH]c(=O)c(C(F)F)cc1Br
InChIInChI=1S/C7H3BrClF2NO2/c8-3-1-2(6(10)11)7(14)12-4(3)5(9)13/h1,6H,(H,12,14)
InChIKeyFFHUAULAILUGMN-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
The IUPAC name of 3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride (CID 130110581) is 3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride is O=C(Cl)c1[nH]c(=O)c(C(F)F)cc1Br.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
The InChIKey is FFHUAULAILUGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF2NO2/c8-3-1-2(6(10)11)7(14)12-4(3)5(9)13/h1,6H,(H,12,14).
What are the key properties of 3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride?
3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-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 3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride is sourced from PubChem (CID 130110581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).