4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

C7HClF6N2O5S — CID 134682371

IUPAC4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1c(C(F)(F)F)cnc(OC(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7HClF6N2O5S/c8-22(19,20)4-3(16(17)18)2(6(9,10)11)1-15-5(4)21-7(12,13)14/h1H
InChIKeyCVWUUQSWFQVWRN-UHFFFAOYSA-N
MW374.60 g/mol
LogP2.83
Rot. Bonds3

About 4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 134682371) has the molecular formula C7HClF6N2O5S and a molecular weight of 374.60 g/mol. Its IUPAC name is 4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID134682371
Molecular FormulaC7HClF6N2O5S
Molecular Weight374.60 g/mol
Exact Mass373.92
IUPAC Name4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1c(C(F)(F)F)cnc(OC(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7HClF6N2O5S/c8-22(19,20)4-3(16(17)18)2(6(9,10)11)1-15-5(4)21-7(12,13)14/h1H
InChIKeyCVWUUQSWFQVWRN-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'}

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Related Compounds

4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 134671327
4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134671215
4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134672889
5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134665398
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672534
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
3-nitro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672531
5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134675645
4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118850921
4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 118850688
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
CID 134669008

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 134682371) is 4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride is O=[N+]([O-])c1c(C(F)(F)F)cnc(OC(F)(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is CVWUUQSWFQVWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HClF6N2O5S/c8-22(19,20)4-3(16(17)18)2(6(9,10)11)1-15-5(4)21-7(12,13)14/h1H.
What are the key properties of 4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-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 4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134682371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).