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

C7H4ClF3N2O6S — CID 134680057

IUPAC4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCOc1cc([N+](=O)[O-])nc(S(=O)(=O)Cl)c1OC(F)(F)F
InChIInChI=1S/C7H4ClF3N2O6S/c1-18-3-2-4(13(14)15)12-6(20(8,16)17)5(3)19-7(9,10)11/h2H,1H3
InChIKeyRIURPRFWQXKXBQ-UHFFFAOYSA-N
MW336.63 g/mol
LogP1.82
Rot. Bonds4

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

4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 134680057) has the molecular formula C7H4ClF3N2O6S and a molecular weight of 336.63 g/mol. Its IUPAC name is 4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID134680057
Molecular FormulaC7H4ClF3N2O6S
Molecular Weight336.63 g/mol
Exact Mass335.94
IUPAC Name4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCOc1cc([N+](=O)[O-])nc(S(=O)(=O)Cl)c1OC(F)(F)F
InChIInChI=1S/C7H4ClF3N2O6S/c1-18-3-2-4(13(14)15)12-6(20(8,16)17)5(3)19-7(9,10)11/h2H,1H3
InChIKeyRIURPRFWQXKXBQ-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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Related Compounds

3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134662375
4-methoxy-2-methyl-6-nitro-3-(trifluoromethoxy)pyridine
CID 134668132
2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 134680139
4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131312152
6-iodo-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134680699
6-(chloromethyl)-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134660622
3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide
CID 133087613
5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134663235
3-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 88545036
6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134677984
3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 118818568
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 134680057) is 4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride is COc1cc([N+](=O)[O-])nc(S(=O)(=O)Cl)c1OC(F)(F)F.
What is the InChIKey of 4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is RIURPRFWQXKXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O6S/c1-18-3-2-4(13(14)15)12-6(20(8,16)17)5(3)19-7(9,10)11/h2H,1H3.
What are the key properties of 4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-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 4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 134680057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).