5-bromo-3-iodo-2-nitropyridine

C5H2BrIN2O2 — CID 130647643

IUPAC5-bromo-3-iodo-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Br)cc1I
InChIInChI=1S/C5H2BrIN2O2/c6-3-1-4(7)5(8-2-3)9(10)11/h1-2H
InChIKeyPPDWTOCCBVUVJL-UHFFFAOYSA-N
MW328.89 g/mol
LogP2.36
Rot. Bonds1

About 5-bromo-3-iodo-2-nitropyridine

5-bromo-3-iodo-2-nitropyridine (PubChem CID 130647643) has the molecular formula C5H2BrIN2O2 and a molecular weight of 328.89 g/mol. Its IUPAC name is 5-bromo-3-iodo-2-nitropyridine.

Molecular Properties

Compound Name5-bromo-3-iodo-2-nitropyridine
PubChem CID130647643
Molecular FormulaC5H2BrIN2O2
Molecular Weight328.89 g/mol
Exact Mass327.83
IUPAC Name5-bromo-3-iodo-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Br)cc1I
InChIInChI=1S/C5H2BrIN2O2/c6-3-1-4(7)5(8-2-3)9(10)11/h1-2H
InChIKeyPPDWTOCCBVUVJL-UHFFFAOYSA-N
XLogP2.36
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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-iodo-2-nitropyridine?
The IUPAC name of 5-bromo-3-iodo-2-nitropyridine (CID 130647643) is 5-bromo-3-iodo-2-nitropyridine.
What is the SMILES notation for 5-bromo-3-iodo-2-nitropyridine?
The canonical SMILES for 5-bromo-3-iodo-2-nitropyridine is O=[N+]([O-])c1ncc(Br)cc1I.
What is the InChIKey of 5-bromo-3-iodo-2-nitropyridine?
The InChIKey is PPDWTOCCBVUVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrIN2O2/c6-3-1-4(7)5(8-2-3)9(10)11/h1-2H.
What are the key properties of 5-bromo-3-iodo-2-nitropyridine?
5-bromo-3-iodo-2-nitropyridine has a molecular weight of 328.89 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-iodo-2-nitropyridine is sourced from PubChem (CID 130647643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).