3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine

C12H8BrFN2O3 — CID 79022162

IUPAC3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1ccc(COc2cncc(Br)c2)cc1F
InChIInChI=1S/C12H8BrFN2O3/c13-9-4-10(6-15-5-9)19-7-8-1-2-12(16(17)18)11(14)3-8/h1-6H,7H2
InChIKeyGCPMQZFOKRKAIC-UHFFFAOYSA-N
MW327.11 g/mol
LogP3.47
Rot. Bonds4

About 3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine

3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine (PubChem CID 79022162) has the molecular formula C12H8BrFN2O3 and a molecular weight of 327.11 g/mol. Its IUPAC name is 3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
PubChem CID79022162
Molecular FormulaC12H8BrFN2O3
Molecular Weight327.11 g/mol
Exact Mass325.97
IUPAC Name3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1ccc(COc2cncc(Br)c2)cc1F
InChIInChI=1S/C12H8BrFN2O3/c13-9-4-10(6-15-5-9)19-7-8-1-2-12(16(17)18)11(14)3-8/h1-6H,7H2
InChIKeyGCPMQZFOKRKAIC-UHFFFAOYSA-N
XLogP3.47
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.11
LogP ≤ 53.47
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

3-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
CID 112558818
4-[(4-bromophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 79022269
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 114672194
5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
CID 112687927
2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene
CID 78978484
3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine
CID 22010197
4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene
CID 82824688
3-bromo-5-[[5-(chloromethyl)-2-nitrophenoxy]methyl]pyridine
CID 104799147
3-bromo-5-phenylmethoxypyridine
CID 15389198
3-bromo-5-[(5-methoxy-2-nitrophenoxy)methyl]pyridine
CID 102703224
3-bromo-5-[(2-nitrophenoxy)methyl]pyridine
CID 39528226
1-chloro-3-fluoro-2-[(3-fluoro-4-nitrophenyl)methoxy]benzene
CID 83051816

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine?
The IUPAC name of 3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine (CID 79022162) is 3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine.
What is the SMILES notation for 3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine?
The canonical SMILES for 3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine is O=[N+]([O-])c1ccc(COc2cncc(Br)c2)cc1F.
What is the InChIKey of 3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine?
The InChIKey is GCPMQZFOKRKAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O3/c13-9-4-10(6-15-5-9)19-7-8-1-2-12(16(17)18)11(14)3-8/h1-6H,7H2.
What are the key properties of 3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine?
3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine has a molecular weight of 327.11 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine is sourced from PubChem (CID 79022162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).