6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide

C₉H₁₁BrN₄O — CID 134714782

About 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide

6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide (PubChem CID 134714782) has the molecular formula C₉H₁₁BrN₄O and a molecular weight of 271.12 g/mol. Its IUPAC name is 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
• PubChem CID: 134714782
• Molecular Formula: C₉H₁₁BrN₄O
• Molecular Weight: 271.12 g/mol
• Exact Mass: 270.01
• IUPAC Name: 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
• SMILES: CN(C)/C=N/NC(=O)c1cccc(Br)n1
• InChI: InChI=1S/C9H11BrN4O/c1-14(2)6-11-13-9(15)7-4-3-5-8(10)12-7/h3-6H,1-2H3,(H,13,15)/b11-6+
• InChIKey: ZECIQTNFCLSJLP-IZZDOVSWSA-N
• XLogP: 1.08
• TPSA: 57.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	271.12
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide?

The IUPAC name of 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide (CID 134714782) is 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide.

What is the SMILES notation for 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide?

The canonical SMILES for 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide is CN(C)/C=N/NC(=O)c1cccc(Br)n1.

What is the InChIKey of 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide?

The InChIKey is ZECIQTNFCLSJLP-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H11BrN4O/c1-14(2)6-11-13-9(15)7-4-3-5-8(10)12-7/h3-6H,1-2H3,(H,13,15)/b11-6+.

What are the key properties of 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide?

6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide has a molecular weight of 271.12 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 134714782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134714782 — identifiers, structure, computed properties (public domain)

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