N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide

C₆H₆BrN₃O — CID 11608210

About N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide

N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide (PubChem CID 11608210) has the molecular formula C₆H₆BrN₃O and a molecular weight of 216.04 g/mol. Its IUPAC name is N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide.

Molecular Properties

• Compound Name: N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide
• PubChem CID: 11608210
• Molecular Formula: C₆H₆BrN₃O
• Molecular Weight: 216.04 g/mol
• Exact Mass: 214.97
• IUPAC Name: N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide
• SMILES: ON/C=N/c1ncccc1Br
• InChI: InChI=1S/C6H6BrN3O/c7-5-2-1-3-8-6(5)9-4-10-11/h1-4,11H,(H,8,9,10)
• InChIKey: RDSPIFKQGSXSAP-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 57.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.04
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'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 N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide?

The IUPAC name of N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide (CID 11608210) is N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide.

What is the SMILES notation for N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide?

The canonical SMILES for N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide is ON/C=N/c1ncccc1Br.

What is the InChIKey of N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide?

The InChIKey is RDSPIFKQGSXSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O/c7-5-2-1-3-8-6(5)9-4-10-11/h1-4,11H,(H,8,9,10).

What are the key properties of N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide?

N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide has a molecular weight of 216.04 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 11608210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11608210 — identifiers, structure, computed properties (public domain)

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