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

C7H5BrN2 — CID 122689459

IUPAC6-bromo-7H-pyrrolo[3,2-b]pyridine
SMILESBrC1=CN=C2C=CN=C2C1
InChIInChI=1S/C7H5BrN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-2,4H,3H2
InChIKeyFSJFAFJVKUYPRN-UHFFFAOYSA-N
MW197.04 g/mol
LogP2.04
Rot. Bonds

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

6-bromo-7H-pyrrolo[3,2-b]pyridine (PubChem CID 122689459) has the molecular formula C7H5BrN2 and a molecular weight of 197.04 g/mol. Its IUPAC name is 6-bromo-7H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-bromo-7H-pyrrolo[3,2-b]pyridine
PubChem CID122689459
Molecular FormulaC7H5BrN2
Molecular Weight197.04 g/mol
Exact Mass195.96
IUPAC Name6-bromo-7H-pyrrolo[3,2-b]pyridine
SMILESBrC1=CN=C2C=CN=C2C1
InChIInChI=1S/C7H5BrN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-2,4H,3H2
InChIKeyFSJFAFJVKUYPRN-UHFFFAOYSA-N
XLogP2.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.04
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7H-pyrrolo[3,2-b]pyridine
CID 90875548
(7S)-7-bromo-7H-pyrrolo[3,2-c]pyridine
CID 124267777
(7R)-7-bromo-7H-pyrrolo[3,2-c]pyridine
CID 124267778
4-bromo-2-ethenyl-3H-pyrrole
CID 159112743

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-bromo-7H-pyrrolo[3,2-b]pyridine (CID 122689459) is 6-bromo-7H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-bromo-7H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-bromo-7H-pyrrolo[3,2-b]pyridine is BrC1=CN=C2C=CN=C2C1.
What is the InChIKey of 6-bromo-7H-pyrrolo[3,2-b]pyridine?
The InChIKey is FSJFAFJVKUYPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-2,4H,3H2.
What are the key properties of 6-bromo-7H-pyrrolo[3,2-b]pyridine?
6-bromo-7H-pyrrolo[3,2-b]pyridine has a molecular weight of 197.04 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 122689459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).