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

C7H4ClF3N2O5S — CID 134671215

IUPAC4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCc1c([N+](=O)[O-])cnc(OC(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H4ClF3N2O5S/c1-3-4(13(14)15)2-12-6(18-7(9,10)11)5(3)19(8,16)17/h2H,1H3
InChIKeyDNNLVHLEYAIWHV-UHFFFAOYSA-N
MW320.63 g/mol
LogP2.12
Rot. Bonds3

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

4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 134671215) has the molecular formula C7H4ClF3N2O5S and a molecular weight of 320.63 g/mol. Its IUPAC name is 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID134671215
Molecular FormulaC7H4ClF3N2O5S
Molecular Weight320.63 g/mol
Exact Mass319.95
IUPAC Name4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCc1c([N+](=O)[O-])cnc(OC(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H4ClF3N2O5S/c1-3-4(13(14)15)2-12-6(18-7(9,10)11)5(3)19(8,16)17/h2H,1H3
InChIKeyDNNLVHLEYAIWHV-UHFFFAOYSA-N
XLogP2.12
TPSA99.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.63
LogP ≤ 52.12
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-sulfonyl chloride
CID 134682371
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671418
4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118850921
2-chloro-3-methyl-5-nitro-4-(trifluoromethoxy)pyridine
CID 119001829
5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134665398
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
4-(chloromethyl)-3-methoxy-5-nitro-2-(trifluoromethoxy)pyridine
CID 134681996
4-methyl-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677349
2-methyl-3-nitro-5-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969230
6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134677984
5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134666993
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 134671215) is 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride is Cc1c([N+](=O)[O-])cnc(OC(F)(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is DNNLVHLEYAIWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O5S/c1-3-4(13(14)15)2-12-6(18-7(9,10)11)5(3)19(8,16)17/h2H,1H3.
What are the key properties of 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 320.63 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134671215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).