4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine

C8H9BrN2 — CID 118992161

IUPAC4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCN1CCc2c(Br)ccnc21
InChIInChI=1S/C8H9BrN2/c1-11-5-3-6-7(9)2-4-10-8(6)11/h2,4H,3,5H2,1H3
InChIKeyXYDKXTQJLXXNEK-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.84
Rot. Bonds

About 4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine

4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 118992161) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID118992161
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCN1CCc2c(Br)ccnc21
InChIInChI=1S/C8H9BrN2/c1-11-5-3-6-7(9)2-4-10-8(6)11/h2,4H,3,5H2,1H3
InChIKeyXYDKXTQJLXXNEK-UHFFFAOYSA-N
XLogP1.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine (CID 118992161) is 4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine is CN1CCc2c(Br)ccnc21.
What is the InChIKey of 4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is XYDKXTQJLXXNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-11-5-3-6-7(9)2-4-10-8(6)11/h2,4H,3,5H2,1H3.
What are the key properties of 4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine?
4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 213.08 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118992161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).