4,7-dibromo-1H-pyrrolo[3,2-c]pyridine

C7H4Br2N2 — CID 24729441

IUPAC4,7-dibromo-1H-pyrrolo[3,2-c]pyridine
SMILESBrc1ncc(Br)c2[nH]ccc12
InChIInChI=1S/C7H4Br2N2/c8-5-3-11-7(9)4-1-2-10-6(4)5/h1-3,10H
InChIKeyXNNGGUSSDILPAQ-UHFFFAOYSA-N
MW275.93 g/mol
LogP3.09
Rot. Bonds

About 4,7-dibromo-1H-pyrrolo[3,2-c]pyridine

4,7-dibromo-1H-pyrrolo[3,2-c]pyridine (PubChem CID 24729441) has the molecular formula C7H4Br2N2 and a molecular weight of 275.93 g/mol. Its IUPAC name is 4,7-dibromo-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4,7-dibromo-1H-pyrrolo[3,2-c]pyridine
PubChem CID24729441
Molecular FormulaC7H4Br2N2
Molecular Weight275.93 g/mol
Exact Mass273.87
IUPAC Name4,7-dibromo-1H-pyrrolo[3,2-c]pyridine
SMILESBrc1ncc(Br)c2[nH]ccc12
InChIInChI=1S/C7H4Br2N2/c8-5-3-11-7(9)4-1-2-10-6(4)5/h1-3,10H
InChIKeyXNNGGUSSDILPAQ-UHFFFAOYSA-N
XLogP3.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.93
LogP ≤ 53.09
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 4,7-dibromo-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4,7-dibromo-1H-pyrrolo[3,2-c]pyridine (CID 24729441) is 4,7-dibromo-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4,7-dibromo-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4,7-dibromo-1H-pyrrolo[3,2-c]pyridine is Brc1ncc(Br)c2[nH]ccc12.
What is the InChIKey of 4,7-dibromo-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is XNNGGUSSDILPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N2/c8-5-3-11-7(9)4-1-2-10-6(4)5/h1-3,10H.
What are the key properties of 4,7-dibromo-1H-pyrrolo[3,2-c]pyridine?
4,7-dibromo-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 275.93 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibromo-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 24729441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).