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

C7H4Br2N2 — CID 24729436

IUPAC3,4-dibromo-1H-pyrrolo[3,2-c]pyridine
SMILESBrc1c[nH]c2ccnc(Br)c12
InChIInChI=1S/C7H4Br2N2/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3,11H
InChIKeyXLYNOUQRLSJSII-UHFFFAOYSA-N
MW275.93 g/mol
LogP3.09
Rot. Bonds

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

3,4-dibromo-1H-pyrrolo[3,2-c]pyridine (PubChem CID 24729436) has the molecular formula C7H4Br2N2 and a molecular weight of 275.93 g/mol. Its IUPAC name is 3,4-dibromo-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3,4-dibromo-1H-pyrrolo[3,2-c]pyridine
PubChem CID24729436
Molecular FormulaC7H4Br2N2
Molecular Weight275.93 g/mol
Exact Mass273.87
IUPAC Name3,4-dibromo-1H-pyrrolo[3,2-c]pyridine
SMILESBrc1c[nH]c2ccnc(Br)c12
InChIInChI=1S/C7H4Br2N2/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3,11H
InChIKeyXLYNOUQRLSJSII-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 3,4-dibromo-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 3,4-dibromo-1H-pyrrolo[3,2-c]pyridine (CID 24729436) is 3,4-dibromo-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3,4-dibromo-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 3,4-dibromo-1H-pyrrolo[3,2-c]pyridine is Brc1c[nH]c2ccnc(Br)c12.
What is the InChIKey of 3,4-dibromo-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is XLYNOUQRLSJSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N2/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3,11H.
What are the key properties of 3,4-dibromo-1H-pyrrolo[3,2-c]pyridine?
3,4-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 3,4-dibromo-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 24729436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).