5-bromo-2-methoxy-3-nitropyridine

C6H5BrN2O3 — CID 15645664

IUPAC5-bromo-2-methoxy-3-nitropyridine
SMILESCOc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C6H5BrN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6/h2-3H,1H3
InChIKeyYRVHFGOAEVWBNS-UHFFFAOYSA-N
MW233.02 g/mol
LogP1.76
Rot. Bonds2

About 5-bromo-2-methoxy-3-nitropyridine

5-bromo-2-methoxy-3-nitropyridine (PubChem CID 15645664) has the molecular formula C6H5BrN2O3 and a molecular weight of 233.02 g/mol. Its IUPAC name is 5-bromo-2-methoxy-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-methoxy-3-nitropyridine
PubChem CID15645664
Molecular FormulaC6H5BrN2O3
Molecular Weight233.02 g/mol
Exact Mass231.95
IUPAC Name5-bromo-2-methoxy-3-nitropyridine
SMILESCOc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C6H5BrN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6/h2-3H,1H3
InChIKeyYRVHFGOAEVWBNS-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-methoxy-3-nitropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-3-nitropyridine?
The IUPAC name of 5-bromo-2-methoxy-3-nitropyridine (CID 15645664) is 5-bromo-2-methoxy-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-methoxy-3-nitropyridine?
The canonical SMILES for 5-bromo-2-methoxy-3-nitropyridine is COc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-2-methoxy-3-nitropyridine?
The InChIKey is YRVHFGOAEVWBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6/h2-3H,1H3.
What are the key properties of 5-bromo-2-methoxy-3-nitropyridine?
5-bromo-2-methoxy-3-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 5-bromo-2-methoxy-3-nitropyridine is sourced from PubChem (CID 15645664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).