4-bromo-2-(pyridine-2-carboximidoyl)aniline

C12H10BrN3 — CID 11543655

IUPAC4-bromo-2-(pyridine-2-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccccn1)c1cc(Br)ccc1N
InChIInChI=1S/C12H10BrN3/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h1-7,15H,14H2/b15-12-
InChIKeyXBYQXYHZBCYJRD-QINSGFPZSA-N
MW276.14 g/mol
LogP2.84
Rot. Bonds2

About 4-bromo-2-(pyridine-2-carboximidoyl)aniline

4-bromo-2-(pyridine-2-carboximidoyl)aniline (PubChem CID 11543655) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is 4-bromo-2-(pyridine-2-carboximidoyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(pyridine-2-carboximidoyl)aniline
PubChem CID11543655
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC Name4-bromo-2-(pyridine-2-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccccn1)c1cc(Br)ccc1N
InChIInChI=1S/C12H10BrN3/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h1-7,15H,14H2/b15-12-
InChIKeyXBYQXYHZBCYJRD-QINSGFPZSA-N
XLogP2.84
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-bromo-2-(pyridine-2-carboximidoyl)aniline 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 4-bromo-2-(pyridine-2-carboximidoyl)aniline?
The IUPAC name of 4-bromo-2-(pyridine-2-carboximidoyl)aniline (CID 11543655) is 4-bromo-2-(pyridine-2-carboximidoyl)aniline.
What is the SMILES notation for 4-bromo-2-(pyridine-2-carboximidoyl)aniline?
The canonical SMILES for 4-bromo-2-(pyridine-2-carboximidoyl)aniline is [H]/N=C(\c1ccccn1)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(pyridine-2-carboximidoyl)aniline?
The InChIKey is XBYQXYHZBCYJRD-QINSGFPZSA-N. The full InChI is InChI=1S/C12H10BrN3/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h1-7,15H,14H2/b15-12-.
What are the key properties of 4-bromo-2-(pyridine-2-carboximidoyl)aniline?
4-bromo-2-(pyridine-2-carboximidoyl)aniline has a molecular weight of 276.14 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(pyridine-2-carboximidoyl)aniline is sourced from PubChem (CID 11543655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).