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

C7H4ClF3N2O5S — CID 134662373

IUPAC6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCc1ncc(S(=O)(=O)Cl)c(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H4ClF3N2O5S/c1-3-5(13(14)15)6(18-7(9,10)11)4(2-12-3)19(8,16)17/h2H,1H3
InChIKeyJLCOEFWDIMFULV-UHFFFAOYSA-N
MW320.63 g/mol
LogP2.12
Rot. Bonds3

About 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride

6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 134662373) has the molecular formula C7H4ClF3N2O5S and a molecular weight of 320.63 g/mol. Its IUPAC name is 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID134662373
Molecular FormulaC7H4ClF3N2O5S
Molecular Weight320.63 g/mol
Exact Mass319.95
IUPAC Name6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCc1ncc(S(=O)(=O)Cl)c(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H4ClF3N2O5S/c1-3-5(13(14)15)6(18-7(9,10)11)4(2-12-3)19(8,16)17/h2H,1H3
InChIKeyJLCOEFWDIMFULV-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

6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
4-ethyl-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969662
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662278
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134667753
4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118822045
5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134665398
4-chloro-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969613
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 130111846
[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134679983
2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 134662841
6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131371074

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 134662373) is 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride is Cc1ncc(S(=O)(=O)Cl)c(OC(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is JLCOEFWDIMFULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O5S/c1-3-5(13(14)15)6(18-7(9,10)11)4(2-12-3)19(8,16)17/h2H,1H3.
What are the key properties of 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
6-methyl-5-nitro-4-(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 6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134662373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).