5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride

C7H2ClF2I2NO — CID 130100736

IUPAC5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(C(F)F)c(I)c1I
InChIInChI=1S/C7H2ClF2I2NO/c8-6(14)5-4(12)3(11)2(1-13-5)7(9)10/h1,7H
InChIKeyRSAJAFBBYCXTIF-UHFFFAOYSA-N
MW443.36 g/mol
LogP3.61
Rot. Bonds2

About 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride

5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride (PubChem CID 130100736) has the molecular formula C7H2ClF2I2NO and a molecular weight of 443.36 g/mol. Its IUPAC name is 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride
PubChem CID130100736
Molecular FormulaC7H2ClF2I2NO
Molecular Weight443.36 g/mol
Exact Mass442.79
IUPAC Name5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(C(F)F)c(I)c1I
InChIInChI=1S/C7H2ClF2I2NO/c8-6(14)5-4(12)3(11)2(1-13-5)7(9)10/h1,7H
InChIKeyRSAJAFBBYCXTIF-UHFFFAOYSA-N
XLogP3.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 53.61
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

3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
CID 130105680
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130094918
5-(difluoromethyl)-4-fluoro-3-methylpyridine-2-carbonyl chloride
CID 130081258
4-(difluoromethyl)-6-fluoro-3-iodopyridine-2-carbonyl chloride
CID 130080396
5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
CID 134664572
4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride
CID 118829473
5-(difluoromethyl)-3-fluoro-4-methoxypyridine-2-carbonyl chloride
CID 133105414
4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130087578
5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130098296
5-(difluoromethyl)-2-fluoro-3,4-diiodopyridine
CID 130100485

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride?
The IUPAC name of 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride (CID 130100736) is 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride is O=C(Cl)c1ncc(C(F)F)c(I)c1I.
What is the InChIKey of 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride?
The InChIKey is RSAJAFBBYCXTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2I2NO/c8-6(14)5-4(12)3(11)2(1-13-5)7(9)10/h1,7H.
What are the key properties of 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride?
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride has a molecular weight of 443.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride is sourced from PubChem (CID 130100736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).