2-bromo-3-methoxy-6-nitropyridine

C6H5BrN2O3 — CID 12692873

IUPAC2-bromo-3-methoxy-6-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])nc1Br
InChIInChI=1S/C6H5BrN2O3/c1-12-4-2-3-5(9(10)11)8-6(4)7/h2-3H,1H3
InChIKeyZKEAOLVGPKCNCT-UHFFFAOYSA-N
MW233.02 g/mol
LogP1.76
Rot. Bonds2

About 2-bromo-3-methoxy-6-nitropyridine

2-bromo-3-methoxy-6-nitropyridine (PubChem CID 12692873) has the molecular formula C6H5BrN2O3 and a molecular weight of 233.02 g/mol. Its IUPAC name is 2-bromo-3-methoxy-6-nitropyridine.

Molecular Properties

Compound Name2-bromo-3-methoxy-6-nitropyridine
PubChem CID12692873
Molecular FormulaC6H5BrN2O3
Molecular Weight233.02 g/mol
Exact Mass231.95
IUPAC Name2-bromo-3-methoxy-6-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])nc1Br
InChIInChI=1S/C6H5BrN2O3/c1-12-4-2-3-5(9(10)11)8-6(4)7/h2-3H,1H3
InChIKeyZKEAOLVGPKCNCT-UHFFFAOYSA-N
XLogP1.76
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 2-bromo-3-methoxy-6-nitropyridine?
The IUPAC name of 2-bromo-3-methoxy-6-nitropyridine (CID 12692873) is 2-bromo-3-methoxy-6-nitropyridine.
What is the SMILES notation for 2-bromo-3-methoxy-6-nitropyridine?
The canonical SMILES for 2-bromo-3-methoxy-6-nitropyridine is COc1ccc([N+](=O)[O-])nc1Br.
What is the InChIKey of 2-bromo-3-methoxy-6-nitropyridine?
The InChIKey is ZKEAOLVGPKCNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O3/c1-12-4-2-3-5(9(10)11)8-6(4)7/h2-3H,1H3.
What are the key properties of 2-bromo-3-methoxy-6-nitropyridine?
2-bromo-3-methoxy-6-nitropyridine has a molecular weight of 233.02 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxy-6-nitropyridine is sourced from PubChem (CID 12692873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).