2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium

C61H74BrN13WY+2 — CID 157188253

About 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium

2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium (PubChem CID 157188253) has the molecular formula C61H74BrN13WY+2 and a molecular weight of 1342.00 g/mol. Its IUPAC name is 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium.

Molecular Properties

• Compound Name: 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium
• PubChem CID: 157188253
• Molecular Formula: C61H74BrN13WY+2
• Molecular Weight: 1342.00 g/mol
• Exact Mass: 1340.39
• IUPAC Name: 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium
• SMILES: Cc1cc(CCc2cncc(Br)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(CCc2cncc([N+]3=CCN(C)CC3)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(N)nc(CCc2cncc([N+]3=CCN(C)CC3)c2)c1.[W].[Y]
• InChI: InChI=1S/C24H30N5.C19H20BrN3.C18H24N5.W.Y/c1-18-13-22(26-24(14-18)29-19(2)5-6-20(29)3)8-7-21-15-23(17-25-16-21)28-11-9-27(4)10-12-28;1-13-8-18(7-6-16-10-17(20)12-21-11-16)22-19(9-13)23-14(2)4-5-15(23)3;1-14-9-16(21-18(19)10-14)4-3-15-11-17(13-20-12-15)23-7-5-22(2)6-8-23;;/h5-6,11,13-17H,7-10,12H2,1-4H3;4-5,8-12H,6-7H2,1-3H3;7,9-13H,3-6,8H2,1-2H3,(H2,19,21);;/q+1;;+1
• InChIKey: QDVOKFGVPNZFMP-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 125.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1342.00
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium?

The IUPAC name of 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium (CID 157188253) is 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium.

What is the SMILES notation for 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium?

The canonical SMILES for 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium is Cc1cc(CCc2cncc(Br)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(CCc2cncc([N+]3=CCN(C)CC3)c2)nc(-n2c(C)ccc2C)c1.Cc1cc(N)nc(CCc2cncc([N+]3=CCN(C)CC3)c2)c1.[W].[Y].

What is the InChIKey of 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium?

The InChIKey is QDVOKFGVPNZFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N5.C19H20BrN3.C18H24N5.W.Y/c1-18-13-22(26-24(14-18)29-19(2)5-6-20(29)3)8-7-21-15-23(17-25-16-21)28-11-9-27(4)10-12-28;1-13-8-18(7-6-16-10-17(20)12-21-11-16)22-19(9-13)23-14(2)4-5-15(23)3;1-14-9-16(21-18(19)10-14)4-3-15-11-17(13-20-12-15)23-7-5-22(2)6-8-23;;/h5-6,11,13-17H,7-10,12H2,1-4H3;4-5,8-12H,6-7H2,1-3H3;7,9-13H,3-6,8H2,1-2H3,(H2,19,21);;/q+1;;+1;;.

What are the key properties of 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium?

2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium has a molecular weight of 1342.00 g/mol, XLogP of 10.19, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium is sourced from PubChem (CID 157188253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).