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

C6H2ClF2IN2O4S — CID 131451806

IUPAC3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)c(C(F)F)c(I)n1
InChIInChI=1S/C6H2ClF2IN2O4S/c7-17(15,16)2-1-3(12(13)14)11-6(10)4(2)5(8)9/h1,5H
InChIKeyCCYFLZCMXZGTCN-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.46
Rot. Bonds3

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

3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride (PubChem CID 131451806) has the molecular formula C6H2ClF2IN2O4S and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride
PubChem CID131451806
Molecular FormulaC6H2ClF2IN2O4S
Molecular Weight398.51 g/mol
Exact Mass397.84
IUPAC Name3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)c(C(F)F)c(I)n1
InChIInChI=1S/C6H2ClF2IN2O4S/c7-17(15,16)2-1-3(12(13)14)11-6(10)4(2)5(8)9/h1,5H
InChIKeyCCYFLZCMXZGTCN-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-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131348243
2-(difluoromethyl)-4-iodo-3-nitrobenzenesulfonyl chloride
CID 172968913
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118812167
3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide
CID 133098938
4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446510
4-(difluoromethyl)-3-iodo-5-nitrobenzenesulfonyl chloride
CID 172969530
5-chloro-4-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446496
2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 134680139
6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131450851
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride
CID 118809611

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride?
The IUPAC name of 3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride (CID 131451806) is 3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride is O=[N+]([O-])c1cc(S(=O)(=O)Cl)c(C(F)F)c(I)n1.
What is the InChIKey of 3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride?
The InChIKey is CCYFLZCMXZGTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF2IN2O4S/c7-17(15,16)2-1-3(12(13)14)11-6(10)4(2)5(8)9/h1,5H.
What are the key properties of 3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride?
3-(difluoromethyl)-2-iodo-6-nitropyridine-4-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)-2-iodo-6-nitropyridine-4-sulfonyl chloride is sourced from PubChem (CID 131451806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).