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

C6HCl2F3N2O5S — CID 118850688

IUPAC4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1c(S(=O)(=O)Cl)ncc(OC(F)(F)F)c1Cl
InChIInChI=1S/C6HCl2F3N2O5S/c7-3-2(18-6(9,10)11)1-12-5(19(8,16)17)4(3)13(14)15/h1H
InChIKeyDDURPKDZFLCAKW-UHFFFAOYSA-N
MW341.05 g/mol
LogP2.47
Rot. Bonds3

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

4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 118850688) has the molecular formula C6HCl2F3N2O5S and a molecular weight of 341.05 g/mol. Its IUPAC name is 4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID118850688
Molecular FormulaC6HCl2F3N2O5S
Molecular Weight341.05 g/mol
Exact Mass339.89
IUPAC Name4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1c(S(=O)(=O)Cl)ncc(OC(F)(F)F)c1Cl
InChIInChI=1S/C6HCl2F3N2O5S/c7-3-2(18-6(9,10)11)1-12-5(19(8,16)17)4(3)13(14)15/h1H
InChIKeyDDURPKDZFLCAKW-UHFFFAOYSA-N
XLogP2.47
TPSA99.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.05
LogP ≤ 52.47
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

3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672534
5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134665398
2-fluoro-3-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969157
3-methyl-6-nitro-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134662375
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134682371
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
2-ethyl-3-nitro-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969124
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
3-nitro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672531
3-iodo-4-nitro-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134681097
4-chloro-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969613

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 118850688) is 4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride is O=[N+]([O-])c1c(S(=O)(=O)Cl)ncc(OC(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is DDURPKDZFLCAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl2F3N2O5S/c7-3-2(18-6(9,10)11)1-12-5(19(8,16)17)4(3)13(14)15/h1H.
What are the key properties of 4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride has a molecular weight of 341.05 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 118850688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).