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

C7HClF6N2O5S — CID 134672534

IUPAC3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride
SMILESO=[N+]([O-])c1c(C(F)(F)F)ncc(OC(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7HClF6N2O5S/c8-22(19,20)4-2(21-7(12,13)14)1-15-5(6(9,10)11)3(4)16(17)18/h1H
InChIKeyIXKRCDKGSGFEGF-UHFFFAOYSA-N
MW374.60 g/mol
LogP2.83
Rot. Bonds3

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

3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride (PubChem CID 134672534) has the molecular formula C7HClF6N2O5S and a molecular weight of 374.60 g/mol. Its IUPAC name is 3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride
PubChem CID134672534
Molecular FormulaC7HClF6N2O5S
Molecular Weight374.60 g/mol
Exact Mass373.92
IUPAC Name3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride
SMILESO=[N+]([O-])c1c(C(F)(F)F)ncc(OC(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7HClF6N2O5S/c8-22(19,20)4-2(21-7(12,13)14)1-15-5(6(9,10)11)3(4)16(17)18/h1H
InChIKeyIXKRCDKGSGFEGF-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-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 118850688
4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134682371
4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134670036
2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide
CID 134671424
5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134665398
2-fluoro-3-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969157
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134671215
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131468991
2-ethyl-3-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969124

Frequently Asked Questions

What is the IUPAC name of 3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride?
The IUPAC name of 3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride (CID 134672534) is 3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride.
What is the SMILES notation for 3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride?
The canonical SMILES for 3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride is O=[N+]([O-])c1c(C(F)(F)F)ncc(OC(F)(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride?
The InChIKey is IXKRCDKGSGFEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HClF6N2O5S/c8-22(19,20)4-2(21-7(12,13)14)1-15-5(6(9,10)11)3(4)16(17)18/h1H.
What are the key properties of 3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride?
3-nitro-5-(trifluoromethoxy)-2-(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 3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride is sourced from PubChem (CID 134672534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).