5-bromo-2-nitro-N-phenylpyridin-3-amine

C11H8BrN3O2 — CID 2842429

IUPAC5-bromo-2-nitro-N-phenylpyridin-3-amine
SMILESO=[N+]([O-])c1ncc(Br)cc1Nc1ccccc1
InChIInChI=1S/C11H8BrN3O2/c12-8-6-10(11(13-7-8)15(16)17)14-9-4-2-1-3-5-9/h1-7,14H
InChIKeyZRHTXLITAPBRDP-UHFFFAOYSA-N
MW294.11 g/mol
LogP3.50
Rot. Bonds3

About 5-bromo-2-nitro-N-phenylpyridin-3-amine

5-bromo-2-nitro-N-phenylpyridin-3-amine (PubChem CID 2842429) has the molecular formula C11H8BrN3O2 and a molecular weight of 294.11 g/mol. Its IUPAC name is 5-bromo-2-nitro-N-phenylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-nitro-N-phenylpyridin-3-amine
PubChem CID2842429
Molecular FormulaC11H8BrN3O2
Molecular Weight294.11 g/mol
Exact Mass292.98
IUPAC Name5-bromo-2-nitro-N-phenylpyridin-3-amine
SMILESO=[N+]([O-])c1ncc(Br)cc1Nc1ccccc1
InChIInChI=1S/C11H8BrN3O2/c12-8-6-10(11(13-7-8)15(16)17)14-9-4-2-1-3-5-9/h1-7,14H
InChIKeyZRHTXLITAPBRDP-UHFFFAOYSA-N
XLogP3.50
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 53.50
H-Bond Donors ≤ 51
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 5-bromo-2-nitro-N-phenylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-nitro-N-phenylpyridin-3-amine?
The IUPAC name of 5-bromo-2-nitro-N-phenylpyridin-3-amine (CID 2842429) is 5-bromo-2-nitro-N-phenylpyridin-3-amine.
What is the SMILES notation for 5-bromo-2-nitro-N-phenylpyridin-3-amine?
The canonical SMILES for 5-bromo-2-nitro-N-phenylpyridin-3-amine is O=[N+]([O-])c1ncc(Br)cc1Nc1ccccc1.
What is the InChIKey of 5-bromo-2-nitro-N-phenylpyridin-3-amine?
The InChIKey is ZRHTXLITAPBRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2/c12-8-6-10(11(13-7-8)15(16)17)14-9-4-2-1-3-5-9/h1-7,14H.
What are the key properties of 5-bromo-2-nitro-N-phenylpyridin-3-amine?
5-bromo-2-nitro-N-phenylpyridin-3-amine has a molecular weight of 294.11 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-nitro-N-phenylpyridin-3-amine is sourced from PubChem (CID 2842429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).