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

C7H4BrN3O2 — CID 53399218

IUPAC5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C7H4BrN3O2/c8-4-1-5-6(11(12)13)3-10-7(5)9-2-4/h1-3H,(H,9,10)
InChIKeyGHHWPSOGKLMSCJ-UHFFFAOYSA-N
MW242.03 g/mol
LogP2.23
Rot. Bonds1

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

5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 53399218) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine
PubChem CID53399218
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C7H4BrN3O2/c8-4-1-5-6(11(12)13)3-10-7(5)9-2-4/h1-3H,(H,9,10)
InChIKeyGHHWPSOGKLMSCJ-UHFFFAOYSA-N
XLogP2.23
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine (CID 53399218) is 5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine is O=[N+]([O-])c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GHHWPSOGKLMSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-4-1-5-6(11(12)13)3-10-7(5)9-2-4/h1-3H,(H,9,10).
What are the key properties of 5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 242.03 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 53399218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).