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

C7H4ClF3N2O6S — CID 134677984

IUPAC6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCOc1nc(OC(F)(F)F)c(S(=O)(=O)Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C7H4ClF3N2O6S/c1-18-5-3(13(14)15)2-4(20(8,16)17)6(12-5)19-7(9,10)11/h2H,1H3
InChIKeyZZQKBRLINDYLQG-UHFFFAOYSA-N
MW336.63 g/mol
LogP1.82
Rot. Bonds4

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

6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 134677984) has the molecular formula C7H4ClF3N2O6S and a molecular weight of 336.63 g/mol. Its IUPAC name is 6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID134677984
Molecular FormulaC7H4ClF3N2O6S
Molecular Weight336.63 g/mol
Exact Mass335.94
IUPAC Name6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCOc1nc(OC(F)(F)F)c(S(=O)(=O)Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C7H4ClF3N2O6S/c1-18-5-3(13(14)15)2-4(20(8,16)17)6(12-5)19-7(9,10)11/h2H,1H3
InChIKeyZZQKBRLINDYLQG-UHFFFAOYSA-N
XLogP1.82
TPSA108.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.63
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 134677984) is 6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride is COc1nc(OC(F)(F)F)c(S(=O)(=O)Cl)cc1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is ZZQKBRLINDYLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O6S/c1-18-5-3(13(14)15)2-4(20(8,16)17)6(12-5)19-7(9,10)11/h2H,1H3.
What are the key properties of 6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 336.63 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134677984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).