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

C7H2BrClF3NO — CID 118800727

IUPAC4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(Br)c(C(F)F)c(F)n1
InChIInChI=1S/C7H2BrClF3NO/c8-2-1-3(5(9)14)13-7(12)4(2)6(10)11/h1,6H
InChIKeyVMTUORHMEULPMO-UHFFFAOYSA-N
MW288.45 g/mol
LogP3.30
Rot. Bonds2

About 4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride

4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride (PubChem CID 118800727) has the molecular formula C7H2BrClF3NO and a molecular weight of 288.45 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
PubChem CID118800727
Molecular FormulaC7H2BrClF3NO
Molecular Weight288.45 g/mol
Exact Mass286.90
IUPAC Name4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(Br)c(C(F)F)c(F)n1
InChIInChI=1S/C7H2BrClF3NO/c8-2-1-3(5(9)14)13-7(12)4(2)6(10)11/h1,6H
InChIKeyVMTUORHMEULPMO-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

4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 118806357
[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 118838629
4-bromo-3-(difluoromethyl)-2,6-difluoropyridine
CID 118806244
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 130109884
6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride
CID 130096534
5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108417
6-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carboxylic acid
CID 130109726
5-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104632
5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108425
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130106642
4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118845283
4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide
CID 118811757

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride?
The IUPAC name of 4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride (CID 118800727) is 4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride is O=C(Cl)c1cc(Br)c(C(F)F)c(F)n1.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride?
The InChIKey is VMTUORHMEULPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF3NO/c8-2-1-3(5(9)14)13-7(12)4(2)6(10)11/h1,6H.
What are the key properties of 4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride?
4-bromo-5-(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 4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride is sourced from PubChem (CID 118800727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).