1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine

C₁₅H₁₂F₄IN₃ — CID 141188195

About 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine

1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine (PubChem CID 141188195) has the molecular formula C₁₅H₁₂F₄IN₃ and a molecular weight of 437.18 g/mol. Its IUPAC name is 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine.

Molecular Properties

• Compound Name: 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
• PubChem CID: 141188195
• Molecular Formula: C₁₅H₁₂F₄IN₃
• Molecular Weight: 437.18 g/mol
• Exact Mass: 437.00
• IUPAC Name: 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
• SMILES: Fc1ccc(C(F)(F)F)c(CN2CCNc3ncc(I)cc32)c1
• InChI: InChI=1S/C15H12F4IN3/c16-10-1-2-12(15(17,18)19)9(5-10)8-23-4-3-21-14-13(23)6-11(20)7-22-14/h1-2,5-7H,3-4,8H2,(H,21,22)
• InChIKey: ISEOUHMNSPIOLH-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 28.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.18
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?

The IUPAC name of 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine (CID 141188195) is 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine.

What is the SMILES notation for 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?

The canonical SMILES for 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine is Fc1ccc(C(F)(F)F)c(CN2CCNc3ncc(I)cc32)c1.

What is the InChIKey of 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?

The InChIKey is ISEOUHMNSPIOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4IN3/c16-10-1-2-12(15(17,18)19)9(5-10)8-23-4-3-21-14-13(23)6-11(20)7-22-14/h1-2,5-7H,3-4,8H2,(H,21,22).

What are the key properties of 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine?

1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine has a molecular weight of 437.18 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7-iodo-3,4-dihydro-2H-pyrido[2,3-b]pyrazine is sourced from PubChem (CID 141188195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141188195 — identifiers, structure, computed properties (public domain)

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