5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide

C7H6F3N3O5S — CID 134669587

IUPAC5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESCc1cc(OC(F)(F)F)c(S(N)(=O)=O)nc1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O5S/c1-3-2-4(18-7(8,9)10)6(19(11,16)17)12-5(3)13(14)15/h2H,1H3,(H2,11,16,17)
InChIKeyBEGQAQILWOBAKR-UHFFFAOYSA-N
MW301.20 g/mol
LogP0.84
Rot. Bonds3

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

5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide (PubChem CID 134669587) has the molecular formula C7H6F3N3O5S and a molecular weight of 301.20 g/mol. Its IUPAC name is 5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
PubChem CID134669587
Molecular FormulaC7H6F3N3O5S
Molecular Weight301.20 g/mol
Exact Mass301.00
IUPAC Name5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
SMILESCc1cc(OC(F)(F)F)c(S(N)(=O)=O)nc1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O5S/c1-3-2-4(18-7(8,9)10)6(19(11,16)17)12-5(3)13(14)15/h2H,1H3,(H2,11,16,17)
InChIKeyBEGQAQILWOBAKR-UHFFFAOYSA-N
XLogP0.84
TPSA125.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
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-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134666720
[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984
6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660949
6-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 134669805
2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine
CID 118804281
6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134676179
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
6-amino-5-cyano-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 133094791
5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134664491
5-hydroxy-3-methoxy-6-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134659583
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134669577
3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134662375

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide?
The IUPAC name of 5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide (CID 134669587) is 5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide.
What is the SMILES notation for 5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide?
The canonical SMILES for 5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide is Cc1cc(OC(F)(F)F)c(S(N)(=O)=O)nc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide?
The InChIKey is BEGQAQILWOBAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O5S/c1-3-2-4(18-7(8,9)10)6(19(11,16)17)12-5(3)13(14)15/h2H,1H3,(H2,11,16,17).
What are the key properties of 5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide?
5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide has a molecular weight of 301.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide is sourced from PubChem (CID 134669587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).