2-bromo-3-ethoxy-5-nitropyridine

C7H7BrN2O3 — CID 119000292

IUPAC2-bromo-3-ethoxy-5-nitropyridine
SMILESCCOc1cc([N+](=O)[O-])cnc1Br
InChIInChI=1S/C7H7BrN2O3/c1-2-13-6-3-5(10(11)12)4-9-7(6)8/h3-4H,2H2,1H3
InChIKeyJQDGVSNWCLLKIM-UHFFFAOYSA-N
MW247.05 g/mol
LogP2.15
Rot. Bonds3

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

2-bromo-3-ethoxy-5-nitropyridine (PubChem CID 119000292) has the molecular formula C7H7BrN2O3 and a molecular weight of 247.05 g/mol. Its IUPAC name is 2-bromo-3-ethoxy-5-nitropyridine.

Molecular Properties

Compound Name2-bromo-3-ethoxy-5-nitropyridine
PubChem CID119000292
Molecular FormulaC7H7BrN2O3
Molecular Weight247.05 g/mol
Exact Mass245.96
IUPAC Name2-bromo-3-ethoxy-5-nitropyridine
SMILESCCOc1cc([N+](=O)[O-])cnc1Br
InChIInChI=1S/C7H7BrN2O3/c1-2-13-6-3-5(10(11)12)4-9-7(6)8/h3-4H,2H2,1H3
InChIKeyJQDGVSNWCLLKIM-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': '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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Related Compounds

2-bromo-3-(difluoromethoxy)-5-nitropyridine
CID 130863918
2-bromo-3-(chloromethyl)-5-nitropyridine
CID 131012860
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
2-bromo-5-nitro-3-(trifluoromethyl)pyridine
CID 53486350
2-chloro-6-ethoxy-4-nitrophenol
CID 71327079
2-(3-ethoxy-4-methylphenoxy)-5-nitropyrimidine
CID 67236723
1-chloro-3-ethoxy-2-methoxy-5-nitrobenzene
CID 125116075
2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene
CID 175152816
carbon dioxide;2,3-dibromo-5-nitropyridine;ethyl 2-(3-bromo-5-nitro-2-pyridinyl)butanoate
CID 159788400
5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole
CID 18465929
3-bromo-5-ethoxy-2-nitropyridine
CID 130631784
3-methoxy-N-methyl-5-nitropyridin-2-amine
CID 90022055

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-ethoxy-5-nitropyridine?
The IUPAC name of 2-bromo-3-ethoxy-5-nitropyridine (CID 119000292) is 2-bromo-3-ethoxy-5-nitropyridine.
What is the SMILES notation for 2-bromo-3-ethoxy-5-nitropyridine?
The canonical SMILES for 2-bromo-3-ethoxy-5-nitropyridine is CCOc1cc([N+](=O)[O-])cnc1Br.
What is the InChIKey of 2-bromo-3-ethoxy-5-nitropyridine?
The InChIKey is JQDGVSNWCLLKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3/c1-2-13-6-3-5(10(11)12)4-9-7(6)8/h3-4H,2H2,1H3.
What are the key properties of 2-bromo-3-ethoxy-5-nitropyridine?
2-bromo-3-ethoxy-5-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 2-bromo-3-ethoxy-5-nitropyridine is sourced from PubChem (CID 119000292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).