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

C12H9BrN2O3 — CID 113452203

IUPAC3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])c(Oc2ccncc2Br)c1
InChIInChI=1S/C12H9BrN2O3/c1-8-2-3-10(15(16)17)12(6-8)18-11-4-5-14-7-9(11)13/h2-7H,1H3
InChIKeyJXHJNAYBJSGMIA-UHFFFAOYSA-N
MW309.12 g/mol
LogP3.85
Rot. Bonds3

About 3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine

3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine (PubChem CID 113452203) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is 3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine
PubChem CID113452203
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])c(Oc2ccncc2Br)c1
InChIInChI=1S/C12H9BrN2O3/c1-8-2-3-10(15(16)17)12(6-8)18-11-4-5-14-7-9(11)13/h2-7H,1H3
InChIKeyJXHJNAYBJSGMIA-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

5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
CID 66320498
2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
3-bromo-4-(4-methyl-3-nitrophenoxy)pyridine
CID 114252563
3-bromo-4-(3-methyl-2-nitrophenoxy)pyridine
CID 113452205
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
1-[3-bromo-4-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 62911397
5-methyl-2-(5-methyl-2-nitrophenoxy)benzoic acid
CID 62516355
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
2-bromo-6-(5-methyl-2-nitrophenoxy)benzoic acid
CID 114888655
3-bromo-4-(5-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 82786749
5-methyl-2-(5-methyl-2-nitrophenoxy)benzonitrile
CID 107928162

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine?
The IUPAC name of 3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine (CID 113452203) is 3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine.
What is the SMILES notation for 3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine?
The canonical SMILES for 3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine is Cc1ccc([N+](=O)[O-])c(Oc2ccncc2Br)c1.
What is the InChIKey of 3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine?
The InChIKey is JXHJNAYBJSGMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c1-8-2-3-10(15(16)17)12(6-8)18-11-4-5-14-7-9(11)13/h2-7H,1H3.
What are the key properties of 3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine?
3-bromo-4-(5-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 3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine is sourced from PubChem (CID 113452203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).