6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine

C11H7BrN4O5 — CID 80862579

IUPAC6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2[N+](=O)[O-])n1
InChIInChI=1S/C11H7BrN4O5/c12-6-1-3-9(8(5-6)16(19)20)21-11-7(15(17)18)2-4-10(13)14-11/h1-5H,(H2,13,14)
InChIKeyMSCYMAUEIOTWBZ-UHFFFAOYSA-N
MW355.10 g/mol
LogP3.04
Rot. Bonds4

About 6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine

6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine (PubChem CID 80862579) has the molecular formula C11H7BrN4O5 and a molecular weight of 355.10 g/mol. Its IUPAC name is 6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
PubChem CID80862579
Molecular FormulaC11H7BrN4O5
Molecular Weight355.10 g/mol
Exact Mass353.96
IUPAC Name6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2[N+](=O)[O-])n1
InChIInChI=1S/C11H7BrN4O5/c12-6-1-3-9(8(5-6)16(19)20)21-11-7(15(17)18)2-4-10(13)14-11/h1-5H,(H2,13,14)
InChIKeyMSCYMAUEIOTWBZ-UHFFFAOYSA-N
XLogP3.04
TPSA134.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine
CID 80881860
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
6-(4-bromo-2-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80876605
6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80876831
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
6-(4-bromo-2-nitrophenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80877132
6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80878170
[6-(4-bromo-2-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80916853
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
6-(4-bromo-2-nitrophenoxy)-7H-purin-2-amine
CID 114787746

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine?
The IUPAC name of 6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine (CID 80862579) is 6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine is Nc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2[N+](=O)[O-])n1.
What is the InChIKey of 6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine?
The InChIKey is MSCYMAUEIOTWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O5/c12-6-1-3-9(8(5-6)16(19)20)21-11-7(15(17)18)2-4-10(13)14-11/h1-5H,(H2,13,14).
What are the key properties of 6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine?
6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine has a molecular weight of 355.10 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine is sourced from PubChem (CID 80862579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).