6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride

C6H2ClF2IN2O4S — CID 118815364

IUPAC6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1c(S(=O)(=O)Cl)cnc(C(F)F)c1I
InChIInChI=1S/C6H2ClF2IN2O4S/c7-17(15,16)2-1-11-4(6(8)9)3(10)5(2)12(13)14/h1,6H
InChIKeyOZWGACJTCFZWON-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.46
Rot. Bonds3

About 6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride

6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride (PubChem CID 118815364) has the molecular formula C6H2ClF2IN2O4S and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride
PubChem CID118815364
Molecular FormulaC6H2ClF2IN2O4S
Molecular Weight398.51 g/mol
Exact Mass397.84
IUPAC Name6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1c(S(=O)(=O)Cl)cnc(C(F)F)c1I
InChIInChI=1S/C6H2ClF2IN2O4S/c7-17(15,16)2-1-11-4(6(8)9)3(10)5(2)12(13)14/h1,6H
InChIKeyOZWGACJTCFZWON-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': '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

5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130073070
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795
2-(difluoromethyl)-4-iodo-3-nitrobenzenesulfonyl chloride
CID 172968913
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-nitropyridine
CID 130086614
4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446510
5-chloro-4-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446496
4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride
CID 118817690
5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134665398
5-chloro-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130095757
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride
CID 118809611
5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 130072355

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride?
The IUPAC name of 6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride (CID 118815364) is 6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride is O=[N+]([O-])c1c(S(=O)(=O)Cl)cnc(C(F)F)c1I.
What is the InChIKey of 6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride?
The InChIKey is OZWGACJTCFZWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF2IN2O4S/c7-17(15,16)2-1-11-4(6(8)9)3(10)5(2)12(13)14/h1,6H.
What are the key properties of 6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride?
6-(difluoromethyl)-5-iodo-4-nitropyridine-3-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 6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride is sourced from PubChem (CID 118815364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).