5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine

C11H12BrN3O2S — CID 167850281

IUPAC5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine
SMILESCn1cncc1CCS(=O)(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H12BrN3O2S/c1-15-8-13-7-10(15)4-5-18(16,17)11-3-2-9(12)6-14-11/h2-3,6-8H,4-5H2,1H3
InChIKeyNUEUHVAYIHHKES-UHFFFAOYSA-N
MW330.21 g/mol
LogP1.59
Rot. Bonds4

About 5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine

5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine (PubChem CID 167850281) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is 5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine
PubChem CID167850281
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine
SMILESCn1cncc1CCS(=O)(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H12BrN3O2S/c1-15-8-13-7-10(15)4-5-18(16,17)11-3-2-9(12)6-14-11/h2-3,6-8H,4-5H2,1H3
InChIKeyNUEUHVAYIHHKES-UHFFFAOYSA-N
XLogP1.59
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine?
The IUPAC name of 5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine (CID 167850281) is 5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine.
What is the SMILES notation for 5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine?
The canonical SMILES for 5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine is Cn1cncc1CCS(=O)(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine?
The InChIKey is NUEUHVAYIHHKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-15-8-13-7-10(15)4-5-18(16,17)11-3-2-9(12)6-14-11/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine?
5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine has a molecular weight of 330.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(3-methylimidazol-4-yl)ethylsulfonyl]pyridine is sourced from PubChem (CID 167850281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).