5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride

C7H2BrClF3NO — CID 130109884

IUPAC5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(F)c(Br)cc1C(F)F
InChIInChI=1S/C7H2BrClF3NO/c8-3-1-2(6(10)11)4(5(9)14)13-7(3)12/h1,6H
InChIKeyIJPYLZIAZVAKEH-UHFFFAOYSA-N
MW288.45 g/mol
LogP3.30
Rot. Bonds2

About 5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride

5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride (PubChem CID 130109884) has the molecular formula C7H2BrClF3NO and a molecular weight of 288.45 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
PubChem CID130109884
Molecular FormulaC7H2BrClF3NO
Molecular Weight288.45 g/mol
Exact Mass286.90
IUPAC Name5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(F)c(Br)cc1C(F)F
InChIInChI=1S/C7H2BrClF3NO/c8-3-1-2(6(10)11)4(5(9)14)13-7(3)12/h1,6H
InChIKeyIJPYLZIAZVAKEH-UHFFFAOYSA-N
XLogP3.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride
CID 130079740
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
CID 134670863
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide
CID 130072214
4-(difluoromethyl)-6-fluoro-3-iodopyridine-2-carbonyl chloride
CID 130080396
6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
CID 134675135
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
CID 130086377
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride
CID 130068532
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 130068522
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130094918

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride?
The IUPAC name of 5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride (CID 130109884) is 5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride is O=C(Cl)c1nc(F)c(Br)cc1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride?
The InChIKey is IJPYLZIAZVAKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF3NO/c8-3-1-2(6(10)11)4(5(9)14)13-7(3)12/h1,6H.
What are the key properties of 5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride?
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride has a molecular weight of 288.45 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride is sourced from PubChem (CID 130109884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).