3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine

C13H12BrN3O3 — CID 103175419

IUPAC3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12BrN3O3/c1-3-10-12(5-4-8(2)16-10)20-13-11(17(18)19)6-9(14)7-15-13/h4-7H,3H2,1-2H3
InChIKeyYJOIAXZPTUDELA-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.81
Rot. Bonds4

About 3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine

3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine (PubChem CID 103175419) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine.

Molecular Properties

Compound Name3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
PubChem CID103175419
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC Name3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12BrN3O3/c1-3-10-12(5-4-8(2)16-10)20-13-11(17(18)19)6-9(14)7-15-13/h4-7H,3H2,1-2H3
InChIKeyYJOIAXZPTUDELA-UHFFFAOYSA-N
XLogP3.81
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine
CID 107667629
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
CID 61374167
N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine
CID 103175461
5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
CID 166176140
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117
5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine
CID 61374175
2-(bromomethyl)-3-[(4-bromo-2-nitrophenyl)methoxy]-6-methylpyridine
CID 114381887
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine?
The IUPAC name of 3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine (CID 103175419) is 3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine.
What is the SMILES notation for 3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine?
The canonical SMILES for 3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine is CCc1nc(C)ccc1Oc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine?
The InChIKey is YJOIAXZPTUDELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-3-10-12(5-4-8(2)16-10)20-13-11(17(18)19)6-9(14)7-15-13/h4-7H,3H2,1-2H3.
What are the key properties of 3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine?
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine has a molecular weight of 338.16 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine is sourced from PubChem (CID 103175419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).