3-bromo-5-ethoxy-2-nitropyridine

C7H7BrN2O3 — CID 130631784

IUPAC3-bromo-5-ethoxy-2-nitropyridine
SMILESCCOc1cnc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C7H7BrN2O3/c1-2-13-5-3-6(8)7(9-4-5)10(11)12/h3-4H,2H2,1H3
InChIKeyOKHYEYRDSAVGCR-UHFFFAOYSA-N
MW247.05 g/mol
LogP2.15
Rot. Bonds3

About 3-bromo-5-ethoxy-2-nitropyridine

3-bromo-5-ethoxy-2-nitropyridine (PubChem CID 130631784) has the molecular formula C7H7BrN2O3 and a molecular weight of 247.05 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-2-nitropyridine.

Molecular Properties

Compound Name3-bromo-5-ethoxy-2-nitropyridine
PubChem CID130631784
Molecular FormulaC7H7BrN2O3
Molecular Weight247.05 g/mol
Exact Mass245.96
IUPAC Name3-bromo-5-ethoxy-2-nitropyridine
SMILESCCOc1cnc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C7H7BrN2O3/c1-2-13-5-3-6(8)7(9-4-5)10(11)12/h3-4H,2H2,1H3
InChIKeyOKHYEYRDSAVGCR-UHFFFAOYSA-N
XLogP2.15
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 52.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-2-nitropyridine?
The IUPAC name of 3-bromo-5-ethoxy-2-nitropyridine (CID 130631784) is 3-bromo-5-ethoxy-2-nitropyridine.
What is the SMILES notation for 3-bromo-5-ethoxy-2-nitropyridine?
The canonical SMILES for 3-bromo-5-ethoxy-2-nitropyridine is CCOc1cnc([N+](=O)[O-])c(Br)c1.
What is the InChIKey of 3-bromo-5-ethoxy-2-nitropyridine?
The InChIKey is OKHYEYRDSAVGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3/c1-2-13-5-3-6(8)7(9-4-5)10(11)12/h3-4H,2H2,1H3.
What are the key properties of 3-bromo-5-ethoxy-2-nitropyridine?
3-bromo-5-ethoxy-2-nitropyridine has a molecular weight of 247.05 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-2-nitropyridine is sourced from PubChem (CID 130631784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).