2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine

C13H11BrN2O4 — CID 115321316

IUPAC2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C13H11BrN2O4/c1-8-3-5-11(9(14)7-8)20-13-10(16(17)18)4-6-12(15-13)19-2/h3-7H,1-2H3
InChIKeyWRRHEFYZSVXWTH-UHFFFAOYSA-N
MW339.15 g/mol
LogP3.86
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine

2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine (PubChem CID 115321316) has the molecular formula C13H11BrN2O4 and a molecular weight of 339.15 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
PubChem CID115321316
Molecular FormulaC13H11BrN2O4
Molecular Weight339.15 g/mol
Exact Mass337.99
IUPAC Name2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C13H11BrN2O4/c1-8-3-5-11(9(14)7-8)20-13-10(16(17)18)4-6-12(15-13)19-2/h3-7H,1-2H3
InChIKeyWRRHEFYZSVXWTH-UHFFFAOYSA-N
XLogP3.86
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 53.86
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

2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
CID 81131436
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
CID 81133094
5-(2-bromo-4-methylphenoxy)-2-nitroaniline
CID 106751987
6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80878170
[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol
CID 107713456
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
CID 115323350
2-(difluoromethoxy)-6-methoxy-3-nitropyridine
CID 153376192
1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485526
2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine (CID 115321316) is 2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine is COc1ccc([N+](=O)[O-])c(Oc2ccc(C)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine?
The InChIKey is WRRHEFYZSVXWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4/c1-8-3-5-11(9(14)7-8)20-13-10(16(17)18)4-6-12(15-13)19-2/h3-7H,1-2H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine?
2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine has a molecular weight of 339.15 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine is sourced from PubChem (CID 115321316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).