5-fluorosulfonyloxy-2-methylpyridine

C6H6FNO3S — CID 118408610

IUPAC5-fluorosulfonyloxy-2-methylpyridine
SMILESCc1ccc(OS(=O)(=O)F)cn1
InChIInChI=1S/C6H6FNO3S/c1-5-2-3-6(4-8-5)11-12(7,9)10/h2-4H,1H3
InChIKeyBVRMNDDCEQMYJB-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.98
Rot. Bonds2

About 5-fluorosulfonyloxy-2-methylpyridine

5-fluorosulfonyloxy-2-methylpyridine (PubChem CID 118408610) has the molecular formula C6H6FNO3S and a molecular weight of 191.18 g/mol. Its IUPAC name is 5-fluorosulfonyloxy-2-methylpyridine.

Molecular Properties

Compound Name5-fluorosulfonyloxy-2-methylpyridine
PubChem CID118408610
Molecular FormulaC6H6FNO3S
Molecular Weight191.18 g/mol
Exact Mass191.01
IUPAC Name5-fluorosulfonyloxy-2-methylpyridine
SMILESCc1ccc(OS(=O)(=O)F)cn1
InChIInChI=1S/C6H6FNO3S/c1-5-2-3-6(4-8-5)11-12(7,9)10/h2-4H,1H3
InChIKeyBVRMNDDCEQMYJB-UHFFFAOYSA-N
XLogP0.98
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-3-pyridinyl) benzenesulfonate
CID 10538577
1,4-bis(fluorosulfonyloxy)benzene
CID 118561819
5-ethoxy-2-methylpyridine
CID 573198
O-(6-methyl-3-pyridinyl)hydroxylamine
CID 143778365
(6-methyl-3-pyridinyl) hypochlorite
CID 164916594
potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide
CID 63704180
(6-methyl-3-pyridinyl) methanesulfinate
CID 20719794
2-methyl-5-methylsulfanyloxypyridine
CID 142150711
2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid
CID 62074087
5-butoxy-2-methylpyridine
CID 13154052
N-chloro-4-[(6-methyl-3-pyridinyl)oxy]aniline
CID 141149124
4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 104637795

Frequently Asked Questions

What is the IUPAC name of 5-fluorosulfonyloxy-2-methylpyridine?
The IUPAC name of 5-fluorosulfonyloxy-2-methylpyridine (CID 118408610) is 5-fluorosulfonyloxy-2-methylpyridine.
What is the SMILES notation for 5-fluorosulfonyloxy-2-methylpyridine?
The canonical SMILES for 5-fluorosulfonyloxy-2-methylpyridine is Cc1ccc(OS(=O)(=O)F)cn1.
What is the InChIKey of 5-fluorosulfonyloxy-2-methylpyridine?
The InChIKey is BVRMNDDCEQMYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3S/c1-5-2-3-6(4-8-5)11-12(7,9)10/h2-4H,1H3.
What are the key properties of 5-fluorosulfonyloxy-2-methylpyridine?
5-fluorosulfonyloxy-2-methylpyridine has a molecular weight of 191.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorosulfonyloxy-2-methylpyridine is sourced from PubChem (CID 118408610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).