N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane

C27H28Br5F3N8O2 — CID 158709349

About N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane

N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane (PubChem CID 158709349) has the molecular formula C27H28Br5F3N8O2 and a molecular weight of 953.09 g/mol. Its IUPAC name is N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane.

Molecular Properties

• Compound Name: N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane
• PubChem CID: 158709349
• Molecular Formula: C27H28Br5F3N8O2
• Molecular Weight: 953.09 g/mol
• Exact Mass: 947.82
• IUPAC Name: N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane
• SMILES: C.C.CC(=O)Nc1cc(Br)nc(Br)c1.CC(=O)Nc1cc(Br)nc(Nc2cc(C(F)(F)F)ccn2)c1.Nc1cc(Br)nc(Br)c1
• InChI: InChI=1S/C13H10BrF3N4O.C7H6Br2N2O.C5H4Br2N2.2CH4/c1-7(22)19-9-5-10(14)20-12(6-9)21-11-4-8(2-3-18-11)13(15,16)17;1-4(12)10-5-2-6(8)11-7(9)3-5;6-4-1-3(8)2-5(7)9-4;;/h2-6H,1H3,(H2,18,19,20,21,22);2-3H,1H3,(H,10,11,12);1-2H,(H2,8,9);2*1H4
• InChIKey: IINHTKUWCXOTPH-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 147.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.09
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane?

The IUPAC name of N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane (CID 158709349) is N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane.

What is the SMILES notation for N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane?

The canonical SMILES for N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane is C.C.CC(=O)Nc1cc(Br)nc(Br)c1.CC(=O)Nc1cc(Br)nc(Nc2cc(C(F)(F)F)ccn2)c1.Nc1cc(Br)nc(Br)c1.

What is the InChIKey of N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane?

The InChIKey is IINHTKUWCXOTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N4O.C7H6Br2N2O.C5H4Br2N2.2CH4/c1-7(22)19-9-5-10(14)20-12(6-9)21-11-4-8(2-3-18-11)13(15,16)17;1-4(12)10-5-2-6(8)11-7(9)3-5;6-4-1-3(8)2-5(7)9-4;;/h2-6H,1H3,(H2,18,19,20,21,22);2-3H,1H3,(H,10,11,12);1-2H,(H2,8,9);2*1H4.

What are the key properties of N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane?

N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane has a molecular weight of 953.09 g/mol, XLogP of 9.99, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-bromo-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]acetamide;2,6-dibromopyridin-4-amine;N-(2,6-dibromo-4-pyridinyl)acetamide;methane is sourced from PubChem (CID 158709349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).