5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride

C7H2ClF5N2O5S — CID 134667753

IUPAC5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1ncc(S(=O)(=O)Cl)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C7H2ClF5N2O5S/c8-21(18,19)2-1-14-6(15(16)17)3(5(9)10)4(2)20-7(11,12)13/h1,5H
InChIKeyLMLRQVYKLFZQIY-UHFFFAOYSA-N
MW356.61 g/mol
LogP2.75
Rot. Bonds4

About 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride

5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 134667753) has the molecular formula C7H2ClF5N2O5S and a molecular weight of 356.61 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID134667753
Molecular FormulaC7H2ClF5N2O5S
Molecular Weight356.61 g/mol
Exact Mass355.93
IUPAC Name5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1ncc(S(=O)(=O)Cl)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C7H2ClF5N2O5S/c8-21(18,19)2-1-14-6(15(16)17)3(5(9)10)4(2)20-7(11,12)13/h1,5H
InChIKeyLMLRQVYKLFZQIY-UHFFFAOYSA-N
XLogP2.75
TPSA99.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446510
5-chloro-4-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446496
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134671187
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134682696
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
CID 134672786
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134661564
5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
CID 134659642
5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134665398
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
5-(chloromethyl)-3-(difluoromethyl)-4-methoxy-2-nitropyridine
CID 130088105

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 134667753) is 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride is O=[N+]([O-])c1ncc(S(=O)(=O)Cl)c(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is LMLRQVYKLFZQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF5N2O5S/c8-21(18,19)2-1-14-6(15(16)17)3(5(9)10)4(2)20-7(11,12)13/h1,5H.
What are the key properties of 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 356.61 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134667753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).