4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride

C7H4BrClF3NO3S — CID 118800492

IUPAC4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCc1cc(Br)c(S(=O)(=O)Cl)c(OC(F)(F)F)n1
InChIInChI=1S/C7H4BrClF3NO3S/c1-3-2-4(8)5(17(9,14)15)6(13-3)16-7(10,11)12/h2H,1H3
InChIKeyIZIKBLQRMZPKHO-UHFFFAOYSA-N
MW354.53 g/mol
LogP2.98
Rot. Bonds2

About 4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride

4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 118800492) has the molecular formula C7H4BrClF3NO3S and a molecular weight of 354.53 g/mol. Its IUPAC name is 4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID118800492
Molecular FormulaC7H4BrClF3NO3S
Molecular Weight354.53 g/mol
Exact Mass352.87
IUPAC Name4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCc1cc(Br)c(S(=O)(=O)Cl)c(OC(F)(F)F)n1
InChIInChI=1S/C7H4BrClF3NO3S/c1-3-2-4(8)5(17(9,14)15)6(13-3)16-7(10,11)12/h2H,1H3
InChIKeyIZIKBLQRMZPKHO-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-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131319656
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131315423
4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118850921
6-iodo-2-methyl-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131280044
3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131369994
2-bromo-4-cyano-6-(trifluoromethoxy)benzenesulfonyl chloride
CID 131398746
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671418
5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131346999
4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118817072
3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine
CID 130960982
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134669577
4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134671215

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 118800492) is 4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride is Cc1cc(Br)c(S(=O)(=O)Cl)c(OC(F)(F)F)n1.
What is the InChIKey of 4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is IZIKBLQRMZPKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3NO3S/c1-3-2-4(8)5(17(9,14)15)6(13-3)16-7(10,11)12/h2H,1H3.
What are the key properties of 4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
4-bromo-6-methyl-2-(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-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118800492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).