6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine

C12H9Br2N3O3 — CID 80878170

IUPAC6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H9Br2N3O3/c1-15-11-5-3-9(17(18)19)12(16-11)20-10-4-2-7(13)6-8(10)14/h2-6H,1H3,(H,15,16)
InChIKeyCUZFXTRRSWOCGB-UHFFFAOYSA-N
MW403.03 g/mol
LogP4.35
Rot. Bonds4

About 6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine

6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine (PubChem CID 80878170) has the molecular formula C12H9Br2N3O3 and a molecular weight of 403.03 g/mol. Its IUPAC name is 6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
PubChem CID80878170
Molecular FormulaC12H9Br2N3O3
Molecular Weight403.03 g/mol
Exact Mass400.90
IUPAC Name6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H9Br2N3O3/c1-15-11-5-3-9(17(18)19)12(16-11)20-10-4-2-7(13)6-8(10)14/h2-6H,1H3,(H,15,16)
InChIKeyCUZFXTRRSWOCGB-UHFFFAOYSA-N
XLogP4.35
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.03
LogP ≤ 54.35
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-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264
6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80877339
[6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80916853
6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80862579
2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
CID 81131436
6-(5-fluoro-2-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 102989036
N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
CID 80862408
6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80869880
2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
CID 81133094
6-(4-bromo-2-nitrophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80939103
2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
CID 18406541
2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide
CID 80865429

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine (CID 80878170) is 6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine is CNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2Br)n1.
What is the InChIKey of 6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine?
The InChIKey is CUZFXTRRSWOCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O3/c1-15-11-5-3-9(17(18)19)12(16-11)20-10-4-2-7(13)6-8(10)14/h2-6H,1H3,(H,15,16).
What are the key properties of 6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine?
6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine has a molecular weight of 403.03 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80878170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).