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

C6HBrCl2F3NO3S — CID 118822883

IUPAC4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(OC(F)(F)F)c(Cl)c1Br
InChIInChI=1S/C6HBrCl2F3NO3S/c7-3-2(17(9,14)15)1-13-5(4(3)8)16-6(10,11)12/h1H
InChIKeyHAPRVVCTEKFACR-UHFFFAOYSA-N
MW374.95 g/mol
LogP3.32
Rot. Bonds2

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

4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 118822883) has the molecular formula C6HBrCl2F3NO3S and a molecular weight of 374.95 g/mol. Its IUPAC name is 4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID118822883
Molecular FormulaC6HBrCl2F3NO3S
Molecular Weight374.95 g/mol
Exact Mass372.82
IUPAC Name4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(OC(F)(F)F)c(Cl)c1Br
InChIInChI=1S/C6HBrCl2F3NO3S/c7-3-2(17(9,14)15)1-13-5(4(3)8)16-6(10,11)12/h1H
InChIKeyHAPRVVCTEKFACR-UHFFFAOYSA-N
XLogP3.32
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.95
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118822045
5-(bromomethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134683104
4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118850921
5-fluoro-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134665398
5-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134676205
2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 170997703
4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 118828945
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118817072
6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131371074
5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134675645

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 118822883) is 4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cnc(OC(F)(F)F)c(Cl)c1Br.
What is the InChIKey of 4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is HAPRVVCTEKFACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrCl2F3NO3S/c7-3-2(17(9,14)15)1-13-5(4(3)8)16-6(10,11)12/h1H.
What are the key properties of 4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 374.95 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118822883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).