3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine

C10H11BrN2O2S — CID 69217778

IUPAC3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine
SMILESCS(=O)(=O)CCn1cc(Br)c2ccncc21
InChIInChI=1S/C10H11BrN2O2S/c1-16(14,15)5-4-13-7-9(11)8-2-3-12-6-10(8)13/h2-3,6-7H,4-5H2,1H3
InChIKeyQFGWQPBBEGZPIC-UHFFFAOYSA-N
MW303.18 g/mol
LogP1.84
Rot. Bonds3

About 3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine

3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine (PubChem CID 69217778) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine
PubChem CID69217778
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine
SMILESCS(=O)(=O)CCn1cc(Br)c2ccncc21
InChIInChI=1S/C10H11BrN2O2S/c1-16(14,15)5-4-13-7-9(11)8-2-3-12-6-10(8)13/h2-3,6-7H,4-5H2,1H3
InChIKeyQFGWQPBBEGZPIC-UHFFFAOYSA-N
XLogP1.84
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine (CID 69217778) is 3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine is CS(=O)(=O)CCn1cc(Br)c2ccncc21.
What is the InChIKey of 3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine?
The InChIKey is QFGWQPBBEGZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c1-16(14,15)5-4-13-7-9(11)8-2-3-12-6-10(8)13/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine?
3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine has a molecular weight of 303.18 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-methylsulfonylethyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 69217778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).