5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine

C₇H₆F₃N₃ — CID 167506610

About 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine

5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 167506610) has the molecular formula C₇H₆F₃N₃ and a molecular weight of 189.14 g/mol. Its IUPAC name is 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

• Compound Name: 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine
• PubChem CID: 167506610
• Molecular Formula: C₇H₆F₃N₃
• Molecular Weight: 189.14 g/mol
• Exact Mass: 189.05
• IUPAC Name: 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine
• SMILES: [H]/N=C/c1cnc(C(F)(F)F)cc1N
• InChI: InChI=1S/C7H6F3N3/c8-7(9,10)6-1-5(12)4(2-11)3-13-6/h1-3,11H,(H2,12,13)/b11-2+
• InChIKey: KFIYFIQVMXEAJE-BIIKFXOESA-N
• XLogP: 1.68
• TPSA: 62.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	189.14
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine?

The IUPAC name of 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine (CID 167506610) is 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine.

What is the SMILES notation for 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine?

The canonical SMILES for 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine is [H]/N=C/c1cnc(C(F)(F)F)cc1N.

What is the InChIKey of 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine?

The InChIKey is KFIYFIQVMXEAJE-BIIKFXOESA-N. The full InChI is InChI=1S/C7H6F3N3/c8-7(9,10)6-1-5(12)4(2-11)3-13-6/h1-3,11H,(H2,12,13)/b11-2+.

What are the key properties of 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine?

5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 189.14 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 167506610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167506610 — identifiers, structure, computed properties (public domain)

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