6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C7H7BrN2 — CID 163455865

IUPAC6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESBrC1=CC2NC=CC2N=C1
InChIInChI=1S/C7H7BrN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,6-7,9H
InChIKeyBKKQAUMMIDRJHI-UHFFFAOYSA-N
MW199.05 g/mol
LogP1.20
Rot. Bonds

About 6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 163455865) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID163455865
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESBrC1=CC2NC=CC2N=C1
InChIInChI=1S/C7H7BrN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,6-7,9H
InChIKeyBKKQAUMMIDRJHI-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 163455865) is 6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is BrC1=CC2NC=CC2N=C1.
What is the InChIKey of 6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is BKKQAUMMIDRJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,6-7,9H.
What are the key properties of 6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 199.05 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 163455865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).