6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine

C12H14BrN3O2S — CID 129053934

IUPAC6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine
SMILESC[C@@H]1CCCN1S(=O)(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C12H14BrN3O2S/c1-9-3-2-6-16(9)19(17,18)12-7-14-11-5-4-10(13)8-15(11)12/h4-5,7-9H,2-3,6H2,1H3/t9-/m1/s1
InChIKeyJBGCOQPODCGRMY-SECBINFHSA-N
MW344.23 g/mol
LogP2.27
Rot. Bonds2

About 6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine

6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine (PubChem CID 129053934) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine
PubChem CID129053934
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine
SMILESC[C@@H]1CCCN1S(=O)(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C12H14BrN3O2S/c1-9-3-2-6-16(9)19(17,18)12-7-14-11-5-4-10(13)8-15(11)12/h4-5,7-9H,2-3,6H2,1H3/t9-/m1/s1
InChIKeyJBGCOQPODCGRMY-SECBINFHSA-N
XLogP2.27
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine (CID 129053934) is 6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine is C[C@@H]1CCCN1S(=O)(=O)c1cnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine?
The InChIKey is JBGCOQPODCGRMY-SECBINFHSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-9-3-2-6-16(9)19(17,18)12-7-14-11-5-4-10(13)8-15(11)12/h4-5,7-9H,2-3,6H2,1H3/t9-/m1/s1.
What are the key properties of 6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine?
6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine has a molecular weight of 344.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine is sourced from PubChem (CID 129053934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).