2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine

C12H8BrFN2O3 — CID 81133094

IUPAC2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C12H8BrFN2O3/c1-7-2-4-10(16(17)18)12(15-7)19-11-5-3-8(14)6-9(11)13/h2-6H,1H3
InChIKeyQAKFABMKGXTMRH-UHFFFAOYSA-N
MW327.11 g/mol
LogP3.99
Rot. Bonds3

About 2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine

2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine (PubChem CID 81133094) has the molecular formula C12H8BrFN2O3 and a molecular weight of 327.11 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
PubChem CID81133094
Molecular FormulaC12H8BrFN2O3
Molecular Weight327.11 g/mol
Exact Mass325.97
IUPAC Name2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C12H8BrFN2O3/c1-7-2-4-10(16(17)18)12(15-7)19-11-5-3-8(14)6-9(11)13/h2-6H,1H3
InChIKeyQAKFABMKGXTMRH-UHFFFAOYSA-N
XLogP3.99
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.11
LogP ≤ 53.99
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-(2-bromo-4-fluorophenoxy)-6-methyl-3-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

2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
CID 81131436
2-(2-bromo-4-fluorophenoxy)-1-methyl-3-nitrobenzene
CID 115551202
2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
CID 9112165
4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 63672086
3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine
CID 105368287
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264
6-(5-fluoro-2-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 102989036
2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
CID 115321316
2-(2-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131791
5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
CID 79075513
5-(2-bromo-4-fluorophenoxy)-1,2-dimethyl-4-nitroimidazole
CID 113235255
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine (CID 81133094) is 2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine is Cc1ccc([N+](=O)[O-])c(Oc2ccc(F)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine?
The InChIKey is QAKFABMKGXTMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O3/c1-7-2-4-10(16(17)18)12(15-7)19-11-5-3-8(14)6-9(11)13/h2-6H,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine?
2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine has a molecular weight of 327.11 g/mol, XLogP of 3.99, 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)-6-methyl-3-nitropyridine is sourced from PubChem (CID 81133094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).