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

C6H2ClF2IN2O4S — CID 131451795

IUPAC5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1c(C(F)F)cnc(S(=O)(=O)Cl)c1I
InChIInChI=1S/C6H2ClF2IN2O4S/c7-17(15,16)6-3(10)4(12(13)14)2(1-11-6)5(8)9/h1,5H
InChIKeyADDDMKNWYAMIRH-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.46
Rot. Bonds3

About 5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride

5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride (PubChem CID 131451795) has the molecular formula C6H2ClF2IN2O4S and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
PubChem CID131451795
Molecular FormulaC6H2ClF2IN2O4S
Molecular Weight398.51 g/mol
Exact Mass397.84
IUPAC Name5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1c(C(F)F)cnc(S(=O)(=O)Cl)c1I
InChIInChI=1S/C6H2ClF2IN2O4S/c7-17(15,16)6-3(10)4(12(13)14)2(1-11-6)5(8)9/h1,5H
InChIKeyADDDMKNWYAMIRH-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

4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 118816647
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118850099
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338
6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride
CID 118815364
3-bromo-5-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068179
3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130096937
6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131269677
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 118827149
6-bromo-4-(difluoromethyl)-5-nitropyridine-2-sulfonyl chloride
CID 131314338
6-bromo-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131314333

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride?
The IUPAC name of 5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride (CID 131451795) is 5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride is O=[N+]([O-])c1c(C(F)F)cnc(S(=O)(=O)Cl)c1I.
What is the InChIKey of 5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride?
The InChIKey is ADDDMKNWYAMIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF2IN2O4S/c7-17(15,16)6-3(10)4(12(13)14)2(1-11-6)5(8)9/h1,5H.
What are the key properties of 5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride?
5-(difluoromethyl)-3-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 5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride is sourced from PubChem (CID 131451795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).