3-(trifluoromethoxy)pyridine-2-sulfonyl chloride

C6H3ClF3NO3S — CID 130088894

IUPAC3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncccc1OC(F)(F)F
InChIInChI=1S/C6H3ClF3NO3S/c7-15(12,13)5-4(2-1-3-11-5)14-6(8,9)10/h1-3H
InChIKeyYMCONHIMVIPBCV-UHFFFAOYSA-N
MW261.61 g/mol
LogP1.91
Rot. Bonds2

About 3-(trifluoromethoxy)pyridine-2-sulfonyl chloride

3-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 130088894) has the molecular formula C6H3ClF3NO3S and a molecular weight of 261.61 g/mol. Its IUPAC name is 3-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID130088894
Molecular FormulaC6H3ClF3NO3S
Molecular Weight261.61 g/mol
Exact Mass260.95
IUPAC Name3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncccc1OC(F)(F)F
InChIInChI=1S/C6H3ClF3NO3S/c7-15(12,13)5-4(2-1-3-11-5)14-6(8,9)10/h1-3H
InChIKeyYMCONHIMVIPBCV-UHFFFAOYSA-N
XLogP1.91
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.61
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodopyridine-2-sulfonyl chloride
CID 175963839
2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 122199046
2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 170997703
2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 170998339
N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 71943479
4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118817072
6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131314313
(2-methyl-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 105094746
2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 153338992
6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 119021551
(2-chloro-3-pyridinyl) trifluoromethanesulfonate
CID 10967281
2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 130046963

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 3-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 130088894) is 3-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 3-(trifluoromethoxy)pyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1ncccc1OC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is YMCONHIMVIPBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO3S/c7-15(12,13)5-4(2-1-3-11-5)14-6(8,9)10/h1-3H.
What are the key properties of 3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
3-(trifluoromethoxy)pyridine-2-sulfonyl chloride has a molecular weight of 261.61 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 130088894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).