3-[(2-bromo-4-nitrophenyl)methoxy]pyridine

C12H9BrN2O3 — CID 112558785

IUPAC3-[(2-bromo-4-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1ccc(COc2cccnc2)c(Br)c1
InChIInChI=1S/C12H9BrN2O3/c13-12-6-10(15(16)17)4-3-9(12)8-18-11-2-1-5-14-7-11/h1-7H,8H2
InChIKeyJFSUVTOGICSPFV-UHFFFAOYSA-N
MW309.12 g/mol
LogP3.33
Rot. Bonds4

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

3-[(2-bromo-4-nitrophenyl)methoxy]pyridine (PubChem CID 112558785) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is 3-[(2-bromo-4-nitrophenyl)methoxy]pyridine.

Molecular Properties

Compound Name3-[(2-bromo-4-nitrophenyl)methoxy]pyridine
PubChem CID112558785
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name3-[(2-bromo-4-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1ccc(COc2cccnc2)c(Br)c1
InChIInChI=1S/C12H9BrN2O3/c13-12-6-10(15(16)17)4-3-9(12)8-18-11-2-1-5-14-7-11/h1-7H,8H2
InChIKeyJFSUVTOGICSPFV-UHFFFAOYSA-N
XLogP3.33
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 53.33
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

2-bromo-1-[(3-ethylphenoxy)methyl]-4-nitrobenzene
CID 64764185
2-bromo-1-[(4-iodophenoxy)methyl]-4-nitrobenzene
CID 63531123
4-[(2-bromo-4-nitrophenyl)methoxy]-1-ethylpyrazole
CID 116804773
3-[(2-bromo-4-nitrophenyl)methoxy]-5-methylphenol
CID 107680337
2-bromo-1-[(2-chlorophenoxy)methyl]-4-nitrobenzene
CID 64764344
(1S)-N-[(2-bromo-4-nitrophenyl)methyl]-1-pyridin-3-ylethanamine
CID 81405020
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718
3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine
CID 112649453
1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432348
2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol
CID 107713238
3-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
CID 112558818
1-(bromomethyl)-2-[(2-bromo-4-nitrophenyl)methoxy]-3-methylbenzene
CID 115956850

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-nitrophenyl)methoxy]pyridine?
The IUPAC name of 3-[(2-bromo-4-nitrophenyl)methoxy]pyridine (CID 112558785) is 3-[(2-bromo-4-nitrophenyl)methoxy]pyridine.
What is the SMILES notation for 3-[(2-bromo-4-nitrophenyl)methoxy]pyridine?
The canonical SMILES for 3-[(2-bromo-4-nitrophenyl)methoxy]pyridine is O=[N+]([O-])c1ccc(COc2cccnc2)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-nitrophenyl)methoxy]pyridine?
The InChIKey is JFSUVTOGICSPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c13-12-6-10(15(16)17)4-3-9(12)8-18-11-2-1-5-14-7-11/h1-7H,8H2.
What are the key properties of 3-[(2-bromo-4-nitrophenyl)methoxy]pyridine?
3-[(2-bromo-4-nitrophenyl)methoxy]pyridine has a molecular weight of 309.12 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-nitrophenyl)methoxy]pyridine is sourced from PubChem (CID 112558785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).