acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide

C86H60Br2Cl3F19N16O11Sn — CID 159410361

About acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide

acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide (PubChem CID 159410361) has the molecular formula C86H60Br2Cl3F19N16O11Sn and a molecular weight of 2239.37 g/mol. Its IUPAC name is acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide.

Molecular Properties

• Compound Name: acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide
• PubChem CID: 159410361
• Molecular Formula: C86H60Br2Cl3F19N16O11Sn
• Molecular Weight: 2239.37 g/mol
• Exact Mass: 2236.08
• IUPAC Name: acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide
• SMILES: CC#N.Cl[Sn]Cl.Nc1ccc(-c2c(C(F)(F)F)nc3ccccn23)cc1.Nc1cccc[n+]1Cc1ccc([N+](=O)[O-])cc1.Nc1ccccn1.O=C(Cl)c1cccc(F)c1F.O=C(Nc1ccc(-c2c(C(F)(F)F)nc3ccccn23)cc1)c1cccc(F)c1F.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=[N+]([O-])c1ccc(-c2c(C(F)(F)F)nc3ccccn23)cc1.O=[N+]([O-])c1ccc(CBr)cc1.[Br-]
• InChI: InChI=1S/C21H12F5N3O.C14H8F3N3O2.C14H10F3N3.C12H11N3O2.C7H6BrNO2.C7H3ClF2O.C5H6N2.C4F6O3.C2H3N.BrH.2ClH.Sn/c22-15-5-3-4-14(17(15)23)20(30)27-13-9-7-12(8-10-13)18-19(21(24,25)26)28-16-6-1-2-11-29(16)18;15-14(16,17)13-12(19-8-2-1-3-11(19)18-13)9-4-6-10(7-5-9)20(21)22;15-14(16,17)13-12(9-4-6-10(18)7-5-9)20-8-2-1-3-11(20)19-13;13-12-3-1-2-8-14(12)9-10-4-6-11(7-5-10)15(16)17;8-5-6-1-3-7(4-2-6)9(10)11;8-7(11)4-2-1-3-5(9)6(4)10;6-5-3-1-2-4-7-5;5-3(6,7)1(11)13-2(12)4(8,9)10;1-2-3;;;;/h1-11H,(H,27,30);1-8H;1-8H,18H2;1-8,13H,9H2;1-4H,5H2;1-3H;1-4H,(H2,6,7);;1H3;3*1H;/q;;;;;;;;;;;;+2/p-2
• InChIKey: LHLRYPVJFPSYND-UHFFFAOYSA-L
• XLogP: 19.80
• TPSA: 389.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2239.37
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide?

The IUPAC name of acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide (CID 159410361) is acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide.

What is the SMILES notation for acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide?

The canonical SMILES for acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide is CC#N.Cl[Sn]Cl.Nc1ccc(-c2c(C(F)(F)F)nc3ccccn23)cc1.Nc1cccc[n+]1Cc1ccc([N+](=O)[O-])cc1.Nc1ccccn1.O=C(Cl)c1cccc(F)c1F.O=C(Nc1ccc(-c2c(C(F)(F)F)nc3ccccn23)cc1)c1cccc(F)c1F.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=[N+]([O-])c1ccc(-c2c(C(F)(F)F)nc3ccccn23)cc1.O=[N+]([O-])c1ccc(CBr)cc1.[Br-].

What is the InChIKey of acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide?

The InChIKey is LHLRYPVJFPSYND-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H12F5N3O.C14H8F3N3O2.C14H10F3N3.C12H11N3O2.C7H6BrNO2.C7H3ClF2O.C5H6N2.C4F6O3.C2H3N.BrH.2ClH.Sn/c22-15-5-3-4-14(17(15)23)20(30)27-13-9-7-12(8-10-13)18-19(21(24,25)26)28-16-6-1-2-11-29(16)18;15-14(16,17)13-12(19-8-2-1-3-11(19)18-13)9-4-6-10(7-5-9)20(21)22;15-14(16,17)13-12(9-4-6-10(18)7-5-9)20-8-2-1-3-11(20)19-13;13-12-3-1-2-8-14(12)9-10-4-6-11(7-5-10)15(16)17;8-5-6-1-3-7(4-2-6)9(10)11;8-7(11)4-2-1-3-5(9)6(4)10;6-5-3-1-2-4-7-5;5-3(6,7)1(11)13-2(12)4(8,9)10;1-2-3;;;;/h1-11H,(H,27,30);1-8H;1-8H,18H2;1-8,13H,9H2;1-4H,5H2;1-3H;1-4H,(H2,6,7);;1H3;3*1H;/q;;;;;;;;;;;;+2/p-2.

What are the key properties of acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide?

acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide has a molecular weight of 2239.37 g/mol, XLogP of 19.80, 12 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;1-(bromomethyl)-4-nitrobenzene;dichlorotin;2,3-difluorobenzoyl chloride;2,3-difluoro-N-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzamide;1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine;3-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;pyridin-2-amine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]aniline;bromide is sourced from PubChem (CID 159410361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).