6-bromo-N'-(methylamino)pyridine-3-carboximidamide

C7H9BrN4 — CID 165000120

IUPAC6-bromo-N'-(methylamino)pyridine-3-carboximidamide
SMILESCNN=C(N)c1ccc(Br)nc1
InChIInChI=1S/C7H9BrN4/c1-10-12-7(9)5-2-3-6(8)11-4-5/h2-4,10H,1H3,(H2,9,12)
InChIKeyKVEKJBNKIBVCST-UHFFFAOYSA-N
MW229.08 g/mol
LogP0.68
Rot. Bonds2

About 6-bromo-N'-(methylamino)pyridine-3-carboximidamide

6-bromo-N'-(methylamino)pyridine-3-carboximidamide (PubChem CID 165000120) has the molecular formula C7H9BrN4 and a molecular weight of 229.08 g/mol. Its IUPAC name is 6-bromo-N'-(methylamino)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-bromo-N'-(methylamino)pyridine-3-carboximidamide
PubChem CID165000120
Molecular FormulaC7H9BrN4
Molecular Weight229.08 g/mol
Exact Mass228.00
IUPAC Name6-bromo-N'-(methylamino)pyridine-3-carboximidamide
SMILESCNN=C(N)c1ccc(Br)nc1
InChIInChI=1S/C7H9BrN4/c1-10-12-7(9)5-2-3-6(8)11-4-5/h2-4,10H,1H3,(H2,9,12)
InChIKeyKVEKJBNKIBVCST-UHFFFAOYSA-N
XLogP0.68
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-N'-(methylamino)pyridine-3-carboximidamide 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 6-bromo-N'-(methylamino)pyridine-3-carboximidamide?
The IUPAC name of 6-bromo-N'-(methylamino)pyridine-3-carboximidamide (CID 165000120) is 6-bromo-N'-(methylamino)pyridine-3-carboximidamide.
What is the SMILES notation for 6-bromo-N'-(methylamino)pyridine-3-carboximidamide?
The canonical SMILES for 6-bromo-N'-(methylamino)pyridine-3-carboximidamide is CNN=C(N)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N'-(methylamino)pyridine-3-carboximidamide?
The InChIKey is KVEKJBNKIBVCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4/c1-10-12-7(9)5-2-3-6(8)11-4-5/h2-4,10H,1H3,(H2,9,12).
What are the key properties of 6-bromo-N'-(methylamino)pyridine-3-carboximidamide?
6-bromo-N'-(methylamino)pyridine-3-carboximidamide has a molecular weight of 229.08 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N'-(methylamino)pyridine-3-carboximidamide is sourced from PubChem (CID 165000120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).