6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine

C8H7BrN2O2S — CID 118249224

IUPAC6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine
SMILESCS(=O)(=O)n1ccc2ncc(Br)cc21
InChIInChI=1S/C8H7BrN2O2S/c1-14(12,13)11-3-2-7-8(11)4-6(9)5-10-7/h2-5H,1H3
InChIKeyFSCBVZKTCMZKIY-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.61
Rot. Bonds1

About 6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine

6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine (PubChem CID 118249224) has the molecular formula C8H7BrN2O2S and a molecular weight of 275.13 g/mol. Its IUPAC name is 6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine
PubChem CID118249224
Molecular FormulaC8H7BrN2O2S
Molecular Weight275.13 g/mol
Exact Mass273.94
IUPAC Name6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine
SMILESCS(=O)(=O)n1ccc2ncc(Br)cc21
InChIInChI=1S/C8H7BrN2O2S/c1-14(12,13)11-3-2-7-8(11)4-6(9)5-10-7/h2-5H,1H3
InChIKeyFSCBVZKTCMZKIY-UHFFFAOYSA-N
XLogP1.61
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine?
The IUPAC name of 6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine (CID 118249224) is 6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine is CS(=O)(=O)n1ccc2ncc(Br)cc21.
What is the InChIKey of 6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine?
The InChIKey is FSCBVZKTCMZKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S/c1-14(12,13)11-3-2-7-8(11)4-6(9)5-10-7/h2-5H,1H3.
What are the key properties of 6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine?
6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine has a molecular weight of 275.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118249224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).