6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine

C12H9BrFN3O3 — CID 80877339

IUPAC6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H9BrFN3O3/c1-15-11-5-4-10(17(18)19)12(16-11)20-7-2-3-8(13)9(14)6-7/h2-6H,1H3,(H,15,16)
InChIKeyLQNKYANMWDODCQ-UHFFFAOYSA-N
MW342.12 g/mol
LogP3.73
Rot. Bonds4

About 6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine

6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine (PubChem CID 80877339) has the molecular formula C12H9BrFN3O3 and a molecular weight of 342.12 g/mol. Its IUPAC name is 6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
PubChem CID80877339
Molecular FormulaC12H9BrFN3O3
Molecular Weight342.12 g/mol
Exact Mass340.98
IUPAC Name6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H9BrFN3O3/c1-15-11-5-4-10(17(18)19)12(16-11)20-7-2-3-8(13)9(14)6-7/h2-6H,1H3,(H,15,16)
InChIKeyLQNKYANMWDODCQ-UHFFFAOYSA-N
XLogP3.73
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 107171804
6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80869880
N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
CID 80862408
6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80878170
5-(4-bromo-3-fluorophenoxy)-2-nitrobenzoic acid
CID 65203349
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264
6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80864419
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine
CID 107171732
6-(5-fluoro-2-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 102989036
2-N-(4-bromo-2,5-difluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107608390
4-(3-fluoro-4-nitrophenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80880096
4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80873471

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine (CID 80877339) is 6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine is CNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)c(F)c2)n1.
What is the InChIKey of 6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine?
The InChIKey is LQNKYANMWDODCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O3/c1-15-11-5-4-10(17(18)19)12(16-11)20-7-2-3-8(13)9(14)6-7/h2-6H,1H3,(H,15,16).
What are the key properties of 6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine?
6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine has a molecular weight of 342.12 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80877339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).