6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine

C8H9BrN2 — CID 135314476

IUPAC6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
SMILESCN1C=CC2N=CC(Br)=CC21
InChIInChI=1S/C8H9BrN2/c1-11-3-2-7-8(11)4-6(9)5-10-7/h2-5,7-8H,1H3
InChIKeyUKHXQLLARVMWFF-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.55
Rot. Bonds

About 6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine

6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine (PubChem CID 135314476) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
PubChem CID135314476
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
SMILESCN1C=CC2N=CC(Br)=CC21
InChIInChI=1S/C8H9BrN2/c1-11-3-2-7-8(11)4-6(9)5-10-7/h2-5,7-8H,1H3
InChIKeyUKHXQLLARVMWFF-UHFFFAOYSA-N
XLogP1.55
TPSA15.60 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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of 6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine (CID 135314476) is 6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine is CN1C=CC2N=CC(Br)=CC21.
What is the InChIKey of 6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is UKHXQLLARVMWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-11-3-2-7-8(11)4-6(9)5-10-7/h2-5,7-8H,1H3.
What are the key properties of 6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 213.08 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 135314476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).