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

C7H4BrClF3NO3S — CID 118822045

IUPAC4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCc1ncc(S(=O)(=O)Cl)c(Br)c1OC(F)(F)F
InChIInChI=1S/C7H4BrClF3NO3S/c1-3-6(16-7(10,11)12)5(8)4(2-13-3)17(9,14)15/h2H,1H3
InChIKeyNTEPJCQVOMCODX-UHFFFAOYSA-N
MW354.53 g/mol
LogP2.98
Rot. Bonds2

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

4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 118822045) has the molecular formula C7H4BrClF3NO3S and a molecular weight of 354.53 g/mol. Its IUPAC name is 4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID118822045
Molecular FormulaC7H4BrClF3NO3S
Molecular Weight354.53 g/mol
Exact Mass352.87
IUPAC Name4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCc1ncc(S(=O)(=O)Cl)c(Br)c1OC(F)(F)F
InChIInChI=1S/C7H4BrClF3NO3S/c1-3-6(16-7(10,11)12)5(8)4(2-13-3)17(9,14)15/h2H,1H3
InChIKeyNTEPJCQVOMCODX-UHFFFAOYSA-N
XLogP2.98
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.53
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118822883
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
5-fluoro-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131492748
5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131369998
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 118817278
6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131371074
4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131319653
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
5-(bromomethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134683104
4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride
CID 169143995
4-chloro-6-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 131119063
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134667753

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 118822045) is 4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride is Cc1ncc(S(=O)(=O)Cl)c(Br)c1OC(F)(F)F.
What is the InChIKey of 4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is NTEPJCQVOMCODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3NO3S/c1-3-6(16-7(10,11)12)5(8)4(2-13-3)17(9,14)15/h2H,1H3.
What are the key properties of 4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 354.53 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118822045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).