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

C8H9BrN2 — CID 135392135

IUPAC5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine
SMILESCN1CCc2nc(Br)ccc21
InChIInChI=1S/C8H9BrN2/c1-11-5-4-6-7(11)2-3-8(9)10-6/h2-3H,4-5H2,1H3
InChIKeyCBTXOOWPJJZHKJ-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.84
Rot. Bonds

About 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine

5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine (PubChem CID 135392135) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine
PubChem CID135392135
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine
SMILESCN1CCc2nc(Br)ccc21
InChIInChI=1S/C8H9BrN2/c1-11-5-4-6-7(11)2-3-8(9)10-6/h2-3H,4-5H2,1H3
InChIKeyCBTXOOWPJJZHKJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine (CID 135392135) is 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine is CN1CCc2nc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is CBTXOOWPJJZHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-11-5-4-6-7(11)2-3-8(9)10-6/h2-3H,4-5H2,1H3.
What are the key properties of 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine?
5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-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 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 135392135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).