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

C7HClF6N2O5S — CID 134661564

IUPAC2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
SMILESO=[N+]([O-])c1nc(C(F)(F)F)cc(S(=O)(=O)Cl)c1OC(F)(F)F
InChIInChI=1S/C7HClF6N2O5S/c8-22(19,20)2-1-3(6(9,10)11)15-5(16(17)18)4(2)21-7(12,13)14/h1H
InChIKeyDTEPRJUGFGZMTB-UHFFFAOYSA-N
MW374.60 g/mol
LogP2.83
Rot. Bonds3

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

2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride (PubChem CID 134661564) has the molecular formula C7HClF6N2O5S and a molecular weight of 374.60 g/mol. Its IUPAC name is 2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
PubChem CID134661564
Molecular FormulaC7HClF6N2O5S
Molecular Weight374.60 g/mol
Exact Mass373.92
IUPAC Name2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
SMILESO=[N+]([O-])c1nc(C(F)(F)F)cc(S(=O)(=O)Cl)c1OC(F)(F)F
InChIInChI=1S/C7HClF6N2O5S/c8-22(19,20)2-1-3(6(9,10)11)15-5(16(17)18)4(2)21-7(12,13)14/h1H
InChIKeyDTEPRJUGFGZMTB-UHFFFAOYSA-N
XLogP2.83
TPSA99.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.60
LogP ≤ 52.83
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'}

Analyze 2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nitro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672531
2-fluoro-6-nitro-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 134680139
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134667753
3-fluoro-5-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969400
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134669577
2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 134662841
4-chloro-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969613
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
3-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 88545036
6-(chloromethyl)-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134660622
6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134677984
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379

Frequently Asked Questions

What is the IUPAC name of 2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride?
The IUPAC name of 2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride (CID 134661564) is 2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride?
The canonical SMILES for 2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride is O=[N+]([O-])c1nc(C(F)(F)F)cc(S(=O)(=O)Cl)c1OC(F)(F)F.
What is the InChIKey of 2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride?
The InChIKey is DTEPRJUGFGZMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HClF6N2O5S/c8-22(19,20)2-1-3(6(9,10)11)15-5(16(17)18)4(2)21-7(12,13)14/h1H.
What are the key properties of 2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride?
2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride has a molecular weight of 374.60 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride is sourced from PubChem (CID 134661564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).