2-(2-bromo-4-fluorophenoxy)-5-nitropyridine

C11H6BrFN2O3 — CID 24507910

IUPAC2-(2-bromo-4-fluorophenoxy)-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(F)cc2Br)nc1
InChIInChI=1S/C11H6BrFN2O3/c12-9-5-7(13)1-3-10(9)18-11-4-2-8(6-14-11)15(16)17/h1-6H
InChIKeyMEHRJEAAAGTMBX-UHFFFAOYSA-N
MW313.08 g/mol
LogP3.68
Rot. Bonds3

About 2-(2-bromo-4-fluorophenoxy)-5-nitropyridine

2-(2-bromo-4-fluorophenoxy)-5-nitropyridine (PubChem CID 24507910) has the molecular formula C11H6BrFN2O3 and a molecular weight of 313.08 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-5-nitropyridine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-5-nitropyridine
PubChem CID24507910
Molecular FormulaC11H6BrFN2O3
Molecular Weight313.08 g/mol
Exact Mass311.95
IUPAC Name2-(2-bromo-4-fluorophenoxy)-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(F)cc2Br)nc1
InChIInChI=1S/C11H6BrFN2O3/c12-9-5-7(13)1-3-10(9)18-11-4-2-8(6-14-11)15(16)17/h1-6H
InChIKeyMEHRJEAAAGTMBX-UHFFFAOYSA-N
XLogP3.68
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.08
LogP ≤ 53.68
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-(2,5-difluorophenoxy)-5-nitropyridine
CID 118138295
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
1-(2-bromo-4-fluorophenoxy)-2-(difluoromethyl)-4-nitrobenzene
CID 63749354
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136
(E)-3-[6-(2-bromo-4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632966
2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
CID 9112165
2-methyl-3-[(5-nitro-2-pyridinyl)oxy]phenol
CID 60871042
ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 24707678
2-(2-bromo-5-fluorophenoxy)-5-methyl-4-nitropyridine
CID 83267572
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-5-nitropyridine?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-5-nitropyridine (CID 24507910) is 2-(2-bromo-4-fluorophenoxy)-5-nitropyridine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-5-nitropyridine?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-5-nitropyridine is O=[N+]([O-])c1ccc(Oc2ccc(F)cc2Br)nc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-5-nitropyridine?
The InChIKey is MEHRJEAAAGTMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O3/c12-9-5-7(13)1-3-10(9)18-11-4-2-8(6-14-11)15(16)17/h1-6H.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-5-nitropyridine?
2-(2-bromo-4-fluorophenoxy)-5-nitropyridine has a molecular weight of 313.08 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-5-nitropyridine is sourced from PubChem (CID 24507910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).