2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile

C41H27Br4F6N11 — CID 157444521

About 2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile

2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile (PubChem CID 157444521) has the molecular formula C41H27Br4F6N11 and a molecular weight of 1107.35 g/mol. Its IUPAC name is 2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile
• PubChem CID: 157444521
• Molecular Formula: C41H27Br4F6N11
• Molecular Weight: 1107.35 g/mol
• Exact Mass: 1102.91
• IUPAC Name: 2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile
• SMILES: Cc1c(C#N)c(Cc2ccccc2)nc(N)c1/N=N/c1c(Br)cc(Br)cc1C(F)(F)F.Cc1c(C#N)c(N)nc(Nc2ccccc2)c1/N=N/c1c(Br)cc(Br)cc1C(F)(F)F
• InChI: InChI=1S/C21H14Br2F3N5.C20H13Br2F3N6/c1-11-14(10-27)17(7-12-5-3-2-4-6-12)29-20(28)18(11)30-31-19-15(21(24,25)26)8-13(22)9-16(19)23;1-10-13(9-26)18(27)29-19(28-12-5-3-2-4-6-12)16(10)30-31-17-14(20(23,24)25)7-11(21)8-15(17)22/h2-6,8-9H,7H2,1H3,(H2,28,29);2-8H,1H3,(H3,27,28,29)/b2*31-30+
• InChIKey: BSBGUCQDCCHAHB-ZIEUVVTMSA-N
• XLogP: 14.94
• TPSA: 186.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1107.35
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile?

The IUPAC name of 2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile (CID 157444521) is 2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile.

What is the SMILES notation for 2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile?

The canonical SMILES for 2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile is Cc1c(C#N)c(Cc2ccccc2)nc(N)c1/N=N/c1c(Br)cc(Br)cc1C(F)(F)F.Cc1c(C#N)c(N)nc(Nc2ccccc2)c1/N=N/c1c(Br)cc(Br)cc1C(F)(F)F.

What is the InChIKey of 2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile?

The InChIKey is BSBGUCQDCCHAHB-ZIEUVVTMSA-N. The full InChI is InChI=1S/C21H14Br2F3N5.C20H13Br2F3N6/c1-11-14(10-27)17(7-12-5-3-2-4-6-12)29-20(28)18(11)30-31-19-15(21(24,25)26)8-13(22)9-16(19)23;1-10-13(9-26)18(27)29-19(28-12-5-3-2-4-6-12)16(10)30-31-17-14(20(23,24)25)7-11(21)8-15(17)22/h2-6,8-9H,7H2,1H3,(H2,28,29);2-8H,1H3,(H3,27,28,29)/b2*31-30+.

What are the key properties of 2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile?

2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile has a molecular weight of 1107.35 g/mol, XLogP of 14.94, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-anilino-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile;6-amino-2-benzyl-5-[[2,4-dibromo-6-(trifluoromethyl)phenyl]diazenyl]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 157444521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).