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

C7H2BrClF2INO — CID 130068532

IUPAC3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(C(F)F)c(I)cc1Br
InChIInChI=1S/C7H2BrClF2INO/c8-2-1-3(12)5(7(10)11)13-4(2)6(9)14/h1,7H
InChIKeyLCIBWVNFZCQUHT-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.77
Rot. Bonds2

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

3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride (PubChem CID 130068532) has the molecular formula C7H2BrClF2INO and a molecular weight of 396.36 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride
PubChem CID130068532
Molecular FormulaC7H2BrClF2INO
Molecular Weight396.36 g/mol
Exact Mass394.80
IUPAC Name3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(C(F)F)c(I)cc1Br
InChIInChI=1S/C7H2BrClF2INO/c8-2-1-3(12)5(7(10)11)13-4(2)6(9)14/h1,7H
InChIKeyLCIBWVNFZCQUHT-UHFFFAOYSA-N
XLogP3.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130108415
2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid
CID 118998027
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 130109884
6-(difluoromethyl)-4,5-diiodopyridine-2-carbonyl chloride
CID 118815357
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 130068522
2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride
CID 118849139
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130108635
5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine
CID 130110747
6-(difluoromethyl)-5-fluoro-3-hydroxypyridine-2-carbonyl chloride
CID 118820960
2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 130087218
methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate
CID 130080291

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride?
The IUPAC name of 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride (CID 130068532) is 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride.
What is the SMILES notation for 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride?
The canonical SMILES for 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride is O=C(Cl)c1nc(C(F)F)c(I)cc1Br.
What is the InChIKey of 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride?
The InChIKey is LCIBWVNFZCQUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF2INO/c8-2-1-3(12)5(7(10)11)13-4(2)6(9)14/h1,7H.
What are the key properties of 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride?
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride has a molecular weight of 396.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride is sourced from PubChem (CID 130068532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).