2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine

C13H11BrN2O3 — CID 133476936

IUPAC2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])c(Oc2ccc(C)nc2Br)c1
InChIInChI=1S/C13H11BrN2O3/c1-8-3-5-10(16(17)18)12(7-8)19-11-6-4-9(2)15-13(11)14/h3-7H,1-2H3
InChIKeyWVJSCIFKSPLKOZ-UHFFFAOYSA-N
MW323.15 g/mol
LogP4.16
Rot. Bonds3

About 2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine

2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine (PubChem CID 133476936) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine.

Molecular Properties

Compound Name2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
PubChem CID133476936
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])c(Oc2ccc(C)nc2Br)c1
InChIInChI=1S/C13H11BrN2O3/c1-8-3-5-10(16(17)18)12(7-8)19-11-6-4-9(2)15-13(11)14/h3-7H,1-2H3
InChIKeyWVJSCIFKSPLKOZ-UHFFFAOYSA-N
XLogP4.16
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 54.16
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-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
CID 81131436
2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine
CID 133476968
5-methyl-2-(5-methyl-2-nitrophenoxy)benzoic acid
CID 62516355
3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine
CID 113452203
5-methyl-2-(5-methyl-2-nitrophenoxy)benzonitrile
CID 107928162
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
CID 66320498
2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile
CID 81061226

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine?
The IUPAC name of 2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine (CID 133476936) is 2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine.
What is the SMILES notation for 2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine?
The canonical SMILES for 2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine is Cc1ccc([N+](=O)[O-])c(Oc2ccc(C)nc2Br)c1.
What is the InChIKey of 2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine?
The InChIKey is WVJSCIFKSPLKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-8-3-5-10(16(17)18)12(7-8)19-11-6-4-9(2)15-13(11)14/h3-7H,1-2H3.
What are the key properties of 2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine?
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine has a molecular weight of 323.15 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine is sourced from PubChem (CID 133476936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).