5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine

C7H7BrN2 — CID 138711096

IUPAC5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESBrC1=CN=C2NC=CC2C1
InChIInChI=1S/C7H7BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-2,4-5H,3H2,(H,9,10)
InChIKeyPAQAJJFHTUDOMU-UHFFFAOYSA-N
MW199.05 g/mol
LogP1.76
Rot. Bonds

About 5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine

5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 138711096) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID138711096
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESBrC1=CN=C2NC=CC2C1
InChIInChI=1S/C7H7BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-2,4-5H,3H2,(H,9,10)
InChIKeyPAQAJJFHTUDOMU-UHFFFAOYSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 138711096) is 5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine is BrC1=CN=C2NC=CC2C1.
What is the InChIKey of 5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PAQAJJFHTUDOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-2,4-5H,3H2,(H,9,10).
What are the key properties of 5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 199.05 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 138711096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).