2-(3-bromo-4-fluorophenoxy)-4-nitropyridine

C11H6BrFN2O3 — CID 83234948

IUPAC2-(3-bromo-4-fluorophenoxy)-4-nitropyridine
SMILESO=[N+]([O-])c1ccnc(Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C11H6BrFN2O3/c12-9-6-8(1-2-10(9)13)18-11-5-7(15(16)17)3-4-14-11/h1-6H
InChIKeyVOSNUIZRAAEJCH-UHFFFAOYSA-N
MW313.08 g/mol
LogP3.68
Rot. Bonds3

About 2-(3-bromo-4-fluorophenoxy)-4-nitropyridine

2-(3-bromo-4-fluorophenoxy)-4-nitropyridine (PubChem CID 83234948) has the molecular formula C11H6BrFN2O3 and a molecular weight of 313.08 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-4-nitropyridine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-4-nitropyridine
PubChem CID83234948
Molecular FormulaC11H6BrFN2O3
Molecular Weight313.08 g/mol
Exact Mass311.95
IUPAC Name2-(3-bromo-4-fluorophenoxy)-4-nitropyridine
SMILESO=[N+]([O-])c1ccnc(Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C11H6BrFN2O3/c12-9-6-8(1-2-10(9)13)18-11-5-7(15(16)17)3-4-14-11/h1-6H
InChIKeyVOSNUIZRAAEJCH-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'}

Analyze 2-(3-bromo-4-fluorophenoxy)-4-nitropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-(3-bromo-4-fluorophenoxy)-5-nitropyridine
CID 83235893
2-(3-bromo-4-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 83235033
2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine
CID 65362426
2-(3-bromo-4-fluorophenoxy)-5-nitroaniline
CID 83233807
2-(3-bromo-4-fluorophenoxy)-1,3-dichloro-5-nitrobenzene
CID 106891272
1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234966
(1R)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234050
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234137
2-(3-bromo-4-fluorophenoxy)-5-nitrobenzoic acid
CID 83231977
2-(3-bromo-4-fluorophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629546
3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
CID 55207487
[3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol
CID 79869655

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-4-nitropyridine?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-4-nitropyridine (CID 83234948) is 2-(3-bromo-4-fluorophenoxy)-4-nitropyridine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-4-nitropyridine?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-4-nitropyridine is O=[N+]([O-])c1ccnc(Oc2ccc(F)c(Br)c2)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-4-nitropyridine?
The InChIKey is VOSNUIZRAAEJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O3/c12-9-6-8(1-2-10(9)13)18-11-5-7(15(16)17)3-4-14-11/h1-6H.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-4-nitropyridine?
2-(3-bromo-4-fluorophenoxy)-4-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-(3-bromo-4-fluorophenoxy)-4-nitropyridine is sourced from PubChem (CID 83234948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).