5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine

C14H13BrN2O4 — CID 107089424

IUPAC5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
SMILESCOc1ccc(Oc2ncc(CBr)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13BrN2O4/c1-9-5-10(7-15)8-16-14(9)21-11-3-4-13(20-2)12(6-11)17(18)19/h3-6,8H,7H2,1-2H3
InChIKeyZALRYVGGSIXCFD-UHFFFAOYSA-N
MW353.17 g/mol
LogP3.99
Rot. Bonds5

About 5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine

5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine (PubChem CID 107089424) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
PubChem CID107089424
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
SMILESCOc1ccc(Oc2ncc(CBr)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13BrN2O4/c1-9-5-10(7-15)8-16-14(9)21-11-3-4-13(20-2)12(6-11)17(18)19/h3-6,8H,7H2,1-2H3
InChIKeyZALRYVGGSIXCFD-UHFFFAOYSA-N
XLogP3.99
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 53.99
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

[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 103201814
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
CID 107086305
1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80639067
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633
5-(bromomethyl)-2-[4-(2-methoxyethyl)phenoxy]-3-methylpyridine
CID 107087634
2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
CID 103201617
5-(bromomethyl)-3-methyl-2-(4-propylphenoxy)pyridine
CID 107088381
[6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633985
5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103202147
5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202408
5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 103202259
2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 79790004

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine?
The IUPAC name of 5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine (CID 107089424) is 5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine?
The canonical SMILES for 5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine is COc1ccc(Oc2ncc(CBr)cc2C)cc1[N+](=O)[O-].
What is the InChIKey of 5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine?
The InChIKey is ZALRYVGGSIXCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c1-9-5-10(7-15)8-16-14(9)21-11-3-4-13(20-2)12(6-11)17(18)19/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine?
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine has a molecular weight of 353.17 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine is sourced from PubChem (CID 107089424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).