3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride

C7H2ClF2I2NO — CID 130100732

IUPAC3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride
SMILESO=C(Cl)c1cc(I)nc(I)c1C(F)F
InChIInChI=1S/C7H2ClF2I2NO/c8-5(14)2-1-3(11)13-7(12)4(2)6(9)10/h1,6H
InChIKeyDATHBHPXFSPRLL-UHFFFAOYSA-N
MW443.36 g/mol
LogP3.61
Rot. Bonds2

About 3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride

3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride (PubChem CID 130100732) has the molecular formula C7H2ClF2I2NO and a molecular weight of 443.36 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride
PubChem CID130100732
Molecular FormulaC7H2ClF2I2NO
Molecular Weight443.36 g/mol
Exact Mass442.79
IUPAC Name3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride
SMILESO=C(Cl)c1cc(I)nc(I)c1C(F)F
InChIInChI=1S/C7H2ClF2I2NO/c8-5(14)2-1-3(11)13-7(12)4(2)6(9)10/h1,6H
InChIKeyDATHBHPXFSPRLL-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride
CID 130105658
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 118845152
5-(difluoromethyl)-6-iodo-2-methylpyridine-3-carbonyl chloride
CID 130086366
5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
CID 130068518
5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride
CID 130086388
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133100823
3-(difluoromethyl)-2,6-diiodopyridine-4-sulfonamide
CID 134671949
6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
CID 130087214
4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 118828941
2-(difluoromethyl)-3-hydroxy-6-iodopyridine-4-carboxamide
CID 118837184
4-(difluoromethyl)-2-fluoro-6-iodopyridine-3-carbonyl chloride
CID 130080397

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride?
The IUPAC name of 3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride (CID 130100732) is 3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride is O=C(Cl)c1cc(I)nc(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride?
The InChIKey is DATHBHPXFSPRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2I2NO/c8-5(14)2-1-3(11)13-7(12)4(2)6(9)10/h1,6H.
What are the key properties of 3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride?
3-(difluoromethyl)-2,6-diiodopyridine-4-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 3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride is sourced from PubChem (CID 130100732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).