5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine

C14H13BrN2O4 — CID 107667629

IUPAC5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine
SMILESCCc1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C14H13BrN2O4/c1-3-9-4-5-12(13(6-9)20-2)21-14-11(17(18)19)7-10(15)8-16-14/h4-8H,3H2,1-2H3
InChIKeyHYXCLVIYRKAHIJ-UHFFFAOYSA-N
MW353.17 g/mol
LogP4.12
Rot. Bonds5

About 5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine

5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine (PubChem CID 107667629) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is 5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine
PubChem CID107667629
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine
SMILESCCc1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C14H13BrN2O4/c1-3-9-4-5-12(13(6-9)20-2)21-14-11(17(18)19)7-10(15)8-16-14/h4-8H,3H2,1-2H3
InChIKeyHYXCLVIYRKAHIJ-UHFFFAOYSA-N
XLogP4.12
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 54.12
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
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103175419
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
CID 61374167
5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
CID 166176140
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene
CID 59191286
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
5-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 142291935
5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
CID 82831572
3-bromo-5-chloro-2-(4-ethyl-2-methoxyphenoxy)pyridine
CID 107667632
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
CID 103583671
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine?
The IUPAC name of 5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine (CID 107667629) is 5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine?
The canonical SMILES for 5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine is CCc1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of 5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine?
The InChIKey is HYXCLVIYRKAHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c1-3-9-4-5-12(13(6-9)20-2)21-14-11(17(18)19)7-10(15)8-16-14/h4-8H,3H2,1-2H3.
What are the key properties of 5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine?
5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine has a molecular weight of 353.17 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine is sourced from PubChem (CID 107667629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).