3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride

C7H4ClF3N2O5S — CID 134662375

IUPAC3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCc1c(OC(F)(F)F)cc([N+](=O)[O-])nc1S(=O)(=O)Cl
InChIInChI=1S/C7H4ClF3N2O5S/c1-3-4(18-7(9,10)11)2-5(13(14)15)12-6(3)19(8,16)17/h2H,1H3
InChIKeyNJHPQFDJOFZQKJ-UHFFFAOYSA-N
MW320.63 g/mol
LogP2.12
Rot. Bonds3

About 3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride

3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 134662375) has the molecular formula C7H4ClF3N2O5S and a molecular weight of 320.63 g/mol. Its IUPAC name is 3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID134662375
Molecular FormulaC7H4ClF3N2O5S
Molecular Weight320.63 g/mol
Exact Mass319.95
IUPAC Name3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCc1c(OC(F)(F)F)cc([N+](=O)[O-])nc1S(=O)(=O)Cl
InChIInChI=1S/C7H4ClF3N2O5S/c1-3-4(18-7(9,10)11)2-5(13(14)15)12-6(3)19(8,16)17/h2H,1H3
InChIKeyNJHPQFDJOFZQKJ-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

4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134680057
3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 118818568
6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131314313
5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131346999
2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 134680139
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671418
4-methoxy-2-methyl-6-nitro-3-(trifluoromethoxy)pyridine
CID 134668132
5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134663235
4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 118850688
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131315423
5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669587
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134669577

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 134662375) is 3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride is Cc1c(OC(F)(F)F)cc([N+](=O)[O-])nc1S(=O)(=O)Cl.
What is the InChIKey of 3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is NJHPQFDJOFZQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O5S/c1-3-4(18-7(9,10)11)2-5(13(14)15)12-6(3)19(8,16)17/h2H,1H3.
What are the key properties of 3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-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 3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 134662375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).