5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride

C7H4ClF3N2O5S — CID 134669577

IUPAC5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c([N+](=O)[O-])nc1OC(F)(F)F
InChIInChI=1S/C7H4ClF3N2O5S/c1-3-2-4(19(8,16)17)5(13(14)15)12-6(3)18-7(9,10)11/h2H,1H3
InChIKeyLOWHIOZOEXLMLT-UHFFFAOYSA-N
MW320.63 g/mol
LogP2.12
Rot. Bonds3

About 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride

5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 134669577) has the molecular formula C7H4ClF3N2O5S and a molecular weight of 320.63 g/mol. Its IUPAC name is 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID134669577
Molecular FormulaC7H4ClF3N2O5S
Molecular Weight320.63 g/mol
Exact Mass319.95
IUPAC Name5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c([N+](=O)[O-])nc1OC(F)(F)F
InChIInChI=1S/C7H4ClF3N2O5S/c1-3-2-4(19(8,16)17)5(13(14)15)12-6(3)18-7(9,10)11/h2H,1H3
InChIKeyLOWHIOZOEXLMLT-UHFFFAOYSA-N
XLogP2.12
TPSA99.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.63
LogP ≤ 52.12
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

5-methyl-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118812911
6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134677984
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671418
5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134664491
3-nitro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672531
2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134661564
ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134682536
3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131369994
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
2-methyl-3-nitro-5-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969230
5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134665398
2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 134680139

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 134669577) is 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c([N+](=O)[O-])nc1OC(F)(F)F.
What is the InChIKey of 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is LOWHIOZOEXLMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O5S/c1-3-2-4(19(8,16)17)5(13(14)15)12-6(3)18-7(9,10)11/h2H,1H3.
What are the key properties of 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 320.63 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134669577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).