2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine

C14H13BrN2O4 — CID 79790004

IUPAC2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
SMILESCOc1ccc(COc2ccc(CBr)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13BrN2O4/c1-20-14-5-2-10(6-13(14)17(18)19)9-21-12-4-3-11(7-15)16-8-12/h2-6,8H,7,9H2,1H3
InChIKeyLIMRJJVRIFGSDV-UHFFFAOYSA-N
MW353.17 g/mol
LogP3.47
Rot. Bonds6

About 2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine

2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine (PubChem CID 79790004) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is 2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
PubChem CID79790004
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
SMILESCOc1ccc(COc2ccc(CBr)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13BrN2O4/c1-20-14-5-2-10(6-13(14)17(18)19)9-21-12-4-3-11(7-15)16-8-12/h2-6,8H,7,9H2,1H3
InChIKeyLIMRJJVRIFGSDV-UHFFFAOYSA-N
XLogP3.47
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

3-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 112558634
4-[(3,5-dimethylphenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 60772192
2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine
CID 79800306
5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 103202259
5-bromo-2-[(4-methoxy-2-nitrophenoxy)methyl]pyridine
CID 104809840
2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene
CID 78978484
4-[(2-bromo-4-fluorophenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 29272743
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424
2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine
CID 62336435
[2-(4-methoxy-3-nitrophenyl)acetyl] 2-(4-methoxyphenyl)acetate
CID 87844336
(2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid
CID 104875231
2-[[6-(bromomethyl)-3-pyridinyl]oxymethyl]-3,5-dimethyl-4-nitropyridine
CID 103186070

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine?
The IUPAC name of 2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine (CID 79790004) is 2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine.
What is the SMILES notation for 2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine?
The canonical SMILES for 2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine is COc1ccc(COc2ccc(CBr)nc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine?
The InChIKey is LIMRJJVRIFGSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c1-20-14-5-2-10(6-13(14)17(18)19)9-21-12-4-3-11(7-15)16-8-12/h2-6,8H,7,9H2,1H3.
What are the key properties of 2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine?
2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine has a molecular weight of 353.17 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine is sourced from PubChem (CID 79790004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).