5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride

C7H2BrCl2F2NO — CID 130108417

IUPAC5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(Cl)c(Br)c(C(F)F)n1
InChIInChI=1S/C7H2BrCl2F2NO/c8-4-2(9)1-3(6(10)14)13-5(4)7(11)12/h1,7H
InChIKeyCTHDSMIOUCFBHJ-UHFFFAOYSA-N
MW304.91 g/mol
LogP3.81
Rot. Bonds2

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

5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride (PubChem CID 130108417) has the molecular formula C7H2BrCl2F2NO and a molecular weight of 304.91 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride
PubChem CID130108417
Molecular FormulaC7H2BrCl2F2NO
Molecular Weight304.91 g/mol
Exact Mass302.87
IUPAC Name5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(Cl)c(Br)c(C(F)F)n1
InChIInChI=1S/C7H2BrCl2F2NO/c8-4-2(9)1-3(6(10)14)13-5(4)7(11)12/h1,7H
InChIKeyCTHDSMIOUCFBHJ-UHFFFAOYSA-N
XLogP3.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.91
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 130108323
5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130074499
4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride
CID 118833974
6-(difluoromethyl)-4,5-diiodopyridine-2-carbonyl chloride
CID 118815357
5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130108415
4-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 130072220
4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130108285
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 133084782
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 118800727
4-cyano-6-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 134685969
3,4-dibromo-6-chloro-2-(difluoromethyl)pyridine
CID 130098856
4-chloro-2-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 118816832

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride?
The IUPAC name of 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride (CID 130108417) is 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride.
What is the SMILES notation for 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride?
The canonical SMILES for 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride is O=C(Cl)c1cc(Cl)c(Br)c(C(F)F)n1.
What is the InChIKey of 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride?
The InChIKey is CTHDSMIOUCFBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2F2NO/c8-4-2(9)1-3(6(10)14)13-5(4)7(11)12/h1,7H.
What are the key properties of 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride?
5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride has a molecular weight of 304.91 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride is sourced from PubChem (CID 130108417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).