7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine

C7H4BrN5 — CID 123135571

IUPAC7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine
SMILES[N-]=[N+]=Nc1nccc2c(Br)c[nH]c12
InChIInChI=1S/C7H4BrN5/c8-5-3-11-6-4(5)1-2-10-7(6)12-13-9/h1-3,11H
InChIKeyUZTABNHFBSTBOI-UHFFFAOYSA-N
MW238.05 g/mol
LogP3.27
Rot. Bonds1

About 7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine

7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine (PubChem CID 123135571) has the molecular formula C7H4BrN5 and a molecular weight of 238.05 g/mol. Its IUPAC name is 7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine
PubChem CID123135571
Molecular FormulaC7H4BrN5
Molecular Weight238.05 g/mol
Exact Mass236.97
IUPAC Name7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine
SMILES[N-]=[N+]=Nc1nccc2c(Br)c[nH]c12
InChIInChI=1S/C7H4BrN5/c8-5-3-11-6-4(5)1-2-10-7(6)12-13-9/h1-3,11H
InChIKeyUZTABNHFBSTBOI-UHFFFAOYSA-N
XLogP3.27
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine (CID 123135571) is 7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine is [N-]=[N+]=Nc1nccc2c(Br)c[nH]c12.
What is the InChIKey of 7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is UZTABNHFBSTBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN5/c8-5-3-11-6-4(5)1-2-10-7(6)12-13-9/h1-3,11H.
What are the key properties of 7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine?
7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 238.05 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-3-bromo-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 123135571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).