5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine

C9H9BrN2 — CID 130113855

IUPAC5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine
SMILESCc1c[nH]c2c(C)cc(Br)nc12
InChIInChI=1S/C9H9BrN2/c1-5-3-7(10)12-9-6(2)4-11-8(5)9/h3-4,11H,1-2H3
InChIKeyAJOGJXPWLVUHKN-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.94
Rot. Bonds

About 5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine

5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 130113855) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID130113855
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine
SMILESCc1c[nH]c2c(C)cc(Br)nc12
InChIInChI=1S/C9H9BrN2/c1-5-3-7(10)12-9-6(2)4-11-8(5)9/h3-4,11H,1-2H3
InChIKeyAJOGJXPWLVUHKN-UHFFFAOYSA-N
XLogP2.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine (CID 130113855) is 5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine is Cc1c[nH]c2c(C)cc(Br)nc12.
What is the InChIKey of 5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is AJOGJXPWLVUHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-5-3-7(10)12-9-6(2)4-11-8(5)9/h3-4,11H,1-2H3.
What are the key properties of 5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine?
5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 225.09 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 130113855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).