3-bromo-5-methylpyridine-2-sulfonyl fluoride

C6H5BrFNO2S — CID 146155271

IUPAC3-bromo-5-methylpyridine-2-sulfonyl fluoride
SMILESCc1cnc(S(=O)(=O)F)c(Br)c1
InChIInChI=1S/C6H5BrFNO2S/c1-4-2-5(7)6(9-3-4)12(8,10)11/h2-3H,1H3
InChIKeyITILXMSHGLYJFA-UHFFFAOYSA-N
MW254.08 g/mol
LogP1.81
Rot. Bonds1

About 3-bromo-5-methylpyridine-2-sulfonyl fluoride

3-bromo-5-methylpyridine-2-sulfonyl fluoride (PubChem CID 146155271) has the molecular formula C6H5BrFNO2S and a molecular weight of 254.08 g/mol. Its IUPAC name is 3-bromo-5-methylpyridine-2-sulfonyl fluoride.

Molecular Properties

Compound Name3-bromo-5-methylpyridine-2-sulfonyl fluoride
PubChem CID146155271
Molecular FormulaC6H5BrFNO2S
Molecular Weight254.08 g/mol
Exact Mass252.92
IUPAC Name3-bromo-5-methylpyridine-2-sulfonyl fluoride
SMILESCc1cnc(S(=O)(=O)F)c(Br)c1
InChIInChI=1S/C6H5BrFNO2S/c1-4-2-5(7)6(9-3-4)12(8,10)11/h2-3H,1H3
InChIKeyITILXMSHGLYJFA-UHFFFAOYSA-N
XLogP1.81
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methylpyridine-2-sulfonyl fluoride?
The IUPAC name of 3-bromo-5-methylpyridine-2-sulfonyl fluoride (CID 146155271) is 3-bromo-5-methylpyridine-2-sulfonyl fluoride.
What is the SMILES notation for 3-bromo-5-methylpyridine-2-sulfonyl fluoride?
The canonical SMILES for 3-bromo-5-methylpyridine-2-sulfonyl fluoride is Cc1cnc(S(=O)(=O)F)c(Br)c1.
What is the InChIKey of 3-bromo-5-methylpyridine-2-sulfonyl fluoride?
The InChIKey is ITILXMSHGLYJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO2S/c1-4-2-5(7)6(9-3-4)12(8,10)11/h2-3H,1H3.
What are the key properties of 3-bromo-5-methylpyridine-2-sulfonyl fluoride?
3-bromo-5-methylpyridine-2-sulfonyl fluoride has a molecular weight of 254.08 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methylpyridine-2-sulfonyl fluoride is sourced from PubChem (CID 146155271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).