3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride

C6H2ClF2IN2O4S — CID 131348243

IUPAC3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(I)nc(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C6H2ClF2IN2O4S/c7-17(15,16)6-4(5(8)9)2(12(13)14)1-3(10)11-6/h1,5H
InChIKeyUUZOCUQUXAEOGR-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.46
Rot. Bonds3

About 3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride

3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride (PubChem CID 131348243) has the molecular formula C6H2ClF2IN2O4S and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride
PubChem CID131348243
Molecular FormulaC6H2ClF2IN2O4S
Molecular Weight398.51 g/mol
Exact Mass397.84
IUPAC Name3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(I)nc(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C6H2ClF2IN2O4S/c7-17(15,16)6-4(5(8)9)2(12(13)14)1-3(10)11-6/h1,5H
InChIKeyUUZOCUQUXAEOGR-UHFFFAOYSA-N
XLogP2.46
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 130097988
4-(difluoromethyl)-3-iodo-5-nitrobenzenesulfonyl chloride
CID 172969530
6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131450851
3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446537
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride
CID 118829623
3-bromo-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131491229
5-bromo-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131319660
3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride
CID 131451806
6-bromo-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131314333
6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
CID 130068552
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride
CID 118809611

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride?
The IUPAC name of 3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride (CID 131348243) is 3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride is O=[N+]([O-])c1cc(I)nc(S(=O)(=O)Cl)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride?
The InChIKey is UUZOCUQUXAEOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF2IN2O4S/c7-17(15,16)6-4(5(8)9)2(12(13)14)1-3(10)11-6/h1,5H.
What are the key properties of 3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride?
3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride has a molecular weight of 398.51 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride is sourced from PubChem (CID 131348243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).