6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride

C7H2ClF5N2O4S — CID 118820982

IUPAC6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)c(C(F)(F)F)nc1C(F)F
InChIInChI=1S/C7H2ClF5N2O4S/c8-20(18,19)3-1-2(15(16)17)4(6(9)10)14-5(3)7(11,12)13/h1,6H
InChIKeyKYWQDIZMTISBMR-UHFFFAOYSA-N
MW340.61 g/mol
LogP2.87
Rot. Bonds3

About 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride

6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 118820982) has the molecular formula C7H2ClF5N2O4S and a molecular weight of 340.61 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID118820982
Molecular FormulaC7H2ClF5N2O4S
Molecular Weight340.61 g/mol
Exact Mass339.93
IUPAC Name6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)c(C(F)(F)F)nc1C(F)F
InChIInChI=1S/C7H2ClF5N2O4S/c8-20(18,19)3-1-2(15(16)17)4(6(9)10)14-5(3)7(11,12)13/h1,6H
InChIKeyKYWQDIZMTISBMR-UHFFFAOYSA-N
XLogP2.87
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride
CID 118809611
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675519
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580
5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446499
5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130081475
2-chloro-4-(difluoromethyl)-5-nitrobenzenesulfonyl chloride
CID 172969027
6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118837901
5-bromo-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131319660
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134677984
[6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118803451

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 118820982) is 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride is O=[N+]([O-])c1cc(S(=O)(=O)Cl)c(C(F)(F)F)nc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is KYWQDIZMTISBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF5N2O4S/c8-20(18,19)3-1-2(15(16)17)4(6(9)10)14-5(3)7(11,12)13/h1,6H.
What are the key properties of 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 340.61 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118820982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).