6-(2-bromophenoxy)-4-nitropyridin-2-amine

C11H8BrN3O3 — CID 114071337

IUPAC6-(2-bromophenoxy)-4-nitropyridin-2-amine
SMILESNc1cc([N+](=O)[O-])cc(Oc2ccccc2Br)n1
InChIInChI=1S/C11H8BrN3O3/c12-8-3-1-2-4-9(8)18-11-6-7(15(16)17)5-10(13)14-11/h1-6H,(H2,13,14)
InChIKeyLYOOHGSCMNCUKO-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.13
Rot. Bonds3

About 6-(2-bromophenoxy)-4-nitropyridin-2-amine

6-(2-bromophenoxy)-4-nitropyridin-2-amine (PubChem CID 114071337) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 6-(2-bromophenoxy)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2-bromophenoxy)-4-nitropyridin-2-amine
PubChem CID114071337
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name6-(2-bromophenoxy)-4-nitropyridin-2-amine
SMILESNc1cc([N+](=O)[O-])cc(Oc2ccccc2Br)n1
InChIInChI=1S/C11H8BrN3O3/c12-8-3-1-2-4-9(8)18-11-6-7(15(16)17)5-10(13)14-11/h1-6H,(H2,13,14)
InChIKeyLYOOHGSCMNCUKO-UHFFFAOYSA-N
XLogP3.13
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenoxy)-4-nitropyridin-2-amine?
The IUPAC name of 6-(2-bromophenoxy)-4-nitropyridin-2-amine (CID 114071337) is 6-(2-bromophenoxy)-4-nitropyridin-2-amine.
What is the SMILES notation for 6-(2-bromophenoxy)-4-nitropyridin-2-amine?
The canonical SMILES for 6-(2-bromophenoxy)-4-nitropyridin-2-amine is Nc1cc([N+](=O)[O-])cc(Oc2ccccc2Br)n1.
What is the InChIKey of 6-(2-bromophenoxy)-4-nitropyridin-2-amine?
The InChIKey is LYOOHGSCMNCUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c12-8-3-1-2-4-9(8)18-11-6-7(15(16)17)5-10(13)14-11/h1-6H,(H2,13,14).
What are the key properties of 6-(2-bromophenoxy)-4-nitropyridin-2-amine?
6-(2-bromophenoxy)-4-nitropyridin-2-amine has a molecular weight of 310.11 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenoxy)-4-nitropyridin-2-amine is sourced from PubChem (CID 114071337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).