6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride

C6H2Cl2F2INO2S — CID 130073549

IUPAC6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)nc(C(F)F)c1I
InChIInChI=1S/C6H2Cl2F2INO2S/c7-3-1-2(15(8,13)14)4(11)5(12-3)6(9)10/h1,6H
InChIKeyUWHNEFMIOKDHSY-UHFFFAOYSA-N
MW387.96 g/mol
LogP3.20
Rot. Bonds2

About 6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride

6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride (PubChem CID 130073549) has the molecular formula C6H2Cl2F2INO2S and a molecular weight of 387.96 g/mol. Its IUPAC name is 6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride
PubChem CID130073549
Molecular FormulaC6H2Cl2F2INO2S
Molecular Weight387.96 g/mol
Exact Mass386.82
IUPAC Name6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)nc(C(F)F)c1I
InChIInChI=1S/C6H2Cl2F2INO2S/c7-3-1-2(15(8,13)14)4(11)5(12-3)6(9)10/h1,6H
InChIKeyUWHNEFMIOKDHSY-UHFFFAOYSA-N
XLogP3.20
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.96
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130073150
6-chloro-2-(difluoromethyl)-3-hydroxypyridine-4-sulfonamide
CID 130072903
6-chloro-2-(difluoromethyl)-4-iodopyridine-3-sulfonamide
CID 130073584
6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride
CID 118815349
2-amino-5-chloro-6-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103068
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride
CID 118854766
6-chloro-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine
CID 130073209
5-chloro-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130095757
2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride
CID 118837893
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 130074002
6-chloro-2-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 130073999
2-chloro-6-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130095745

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride?
The IUPAC name of 6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride (CID 130073549) is 6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride.
What is the SMILES notation for 6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride?
The canonical SMILES for 6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)nc(C(F)F)c1I.
What is the InChIKey of 6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride?
The InChIKey is UWHNEFMIOKDHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2INO2S/c7-3-1-2(15(8,13)14)4(11)5(12-3)6(9)10/h1,6H.
What are the key properties of 6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride?
6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride has a molecular weight of 387.96 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(difluoromethyl)-3-iodopyridine-4-sulfonyl chloride is sourced from PubChem (CID 130073549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).