5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine

C12H9BrN2O3 — CID 61374554

IUPAC5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine
SMILESCc1ccc(Oc2ccc(Br)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9BrN2O3/c1-8-2-4-11(10(6-8)15(16)17)18-12-5-3-9(13)7-14-12/h2-7H,1H3
InChIKeyNQGYPVATTNSERI-UHFFFAOYSA-N
MW309.12 g/mol
LogP3.85
Rot. Bonds3

About 5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine

5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine (PubChem CID 61374554) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is 5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine
PubChem CID61374554
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine
SMILESCc1ccc(Oc2ccc(Br)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9BrN2O3/c1-8-2-4-11(10(6-8)15(16)17)18-12-5-3-9(13)7-14-12/h2-7H,1H3
InChIKeyNQGYPVATTNSERI-UHFFFAOYSA-N
XLogP3.85
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine
CID 63463834
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol
CID 168963794
2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395820
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
2-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 114051805
3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 24507947
6-(4-methyl-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66455721

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine?
The IUPAC name of 5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine (CID 61374554) is 5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine.
What is the SMILES notation for 5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine?
The canonical SMILES for 5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine is Cc1ccc(Oc2ccc(Br)cn2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine?
The InChIKey is NQGYPVATTNSERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c1-8-2-4-11(10(6-8)15(16)17)18-12-5-3-9(13)7-14-12/h2-7H,1H3.
What are the key properties of 5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine?
5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine has a molecular weight of 309.12 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine is sourced from PubChem (CID 61374554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).