6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane

C109H113Br2ClF12N18O18Sn — CID 161242735

About 6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane

6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane (PubChem CID 161242735) has the molecular formula C109H113Br2ClF12N18O18Sn and a molecular weight of 2505.16 g/mol. Its IUPAC name is 6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane.

Molecular Properties

• Compound Name: 6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
• PubChem CID: 161242735
• Molecular Formula: C109H113Br2ClF12N18O18Sn
• Molecular Weight: 2505.16 g/mol
• Exact Mass: 2502.54
• IUPAC Name: 6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
• SMILES: C=C(c1cc(C)cc(C(F)(F)F)c1)C(F)(F)F.C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc(C(=O)OC)n2ccnc12.C=Cc1ccc(C(=O)OC)n2ccnc12.COC(=O)c1ccc(Br)c(N)n1.COC(=O)c1ccc(Br)c2nccn12.COC(=O)c1ccc(C2=NOC(c3cc(C)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2nccn12.COC(=O)c1ccc(C=O)c2nccn12.COC(=O)c1cccc(N)n1.NC(=O)c1cccc(N)n1.O=CCCl
• InChI: InChI=1S/C21H15F6N3O3.C11H8F6.2C11H10N2O2.C10H8N2O3.C9H7BrN2O2.C7H7BrN2O2.C7H8N2O2.C6H7N3O.3C4H9.C2H3ClO.C2H3.Sn/c1-11-7-12(9-13(8-11)20(22,23)24)19(21(25,26)27)10-15(29-33-19)14-3-4-16(18(31)32-2)30-6-5-28-17(14)30;1-6-3-8(7(2)10(12,13)14)5-9(4-6)11(15,16)17;2*1-3-8-4-5-9(11(14)15-2)13-7-6-12-10(8)13;1-15-10(14)8-3-2-7(6-13)9-11-4-5-12(8)9;1-14-9(13)7-3-2-6(10)8-11-4-5-12(7)8;1-12-7(11)5-3-2-4(8)6(9)10-5;1-11-7(10)5-3-2-4-6(8)9-5;7-5-3-1-2-4(9-5)6(8)10;3*1-3-4-2;3-1-2-4;1-2;/h3-9H,10H2,1-2H3;3-5H,2H2,1H3;2*3-7H,1H2,2H3;2-6H,1H3;2-5H,1H3;2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);1-3H,(H2,7,9)(H2,8,10);3*1,3-4H2,2H3;2H,1H2;1H,2H2
• InChIKey: VAFOZPQFORKHEG-UHFFFAOYSA-N
• XLogP: 23.38
• TPSA: 486.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2505.16
LogP ≤ 5	23.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane?

The IUPAC name of 6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane (CID 161242735) is 6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane.

What is the SMILES notation for 6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane?

The canonical SMILES for 6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane is C=C(c1cc(C)cc(C(F)(F)F)c1)C(F)(F)F.C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc(C(=O)OC)n2ccnc12.C=Cc1ccc(C(=O)OC)n2ccnc12.COC(=O)c1ccc(Br)c(N)n1.COC(=O)c1ccc(Br)c2nccn12.COC(=O)c1ccc(C2=NOC(c3cc(C)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2nccn12.COC(=O)c1ccc(C=O)c2nccn12.COC(=O)c1cccc(N)n1.NC(=O)c1cccc(N)n1.O=CCCl.

What is the InChIKey of 6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane?

The InChIKey is VAFOZPQFORKHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6N3O3.C11H8F6.2C11H10N2O2.C10H8N2O3.C9H7BrN2O2.C7H7BrN2O2.C7H8N2O2.C6H7N3O.3C4H9.C2H3ClO.C2H3.Sn/c1-11-7-12(9-13(8-11)20(22,23)24)19(21(25,26)27)10-15(29-33-19)14-3-4-16(18(31)32-2)30-6-5-28-17(14)30;1-6-3-8(7(2)10(12,13)14)5-9(4-6)11(15,16)17;2*1-3-8-4-5-9(11(14)15-2)13-7-6-12-10(8)13;1-15-10(14)8-3-2-7(6-13)9-11-4-5-12(8)9;1-14-9(13)7-3-2-6(10)8-11-4-5-12(7)8;1-12-7(11)5-3-2-4(8)6(9)10-5;1-11-7(10)5-3-2-4-6(8)9-5;7-5-3-1-2-4(9-5)6(8)10;3*1-3-4-2;3-1-2-4;1-2;/h3-9H,10H2,1-2H3;3-5H,2H2,1H3;2*3-7H,1H2,2H3;2-6H,1H3;2-5H,1H3;2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);1-3H,(H2,7,9)(H2,8,10);3*1,3-4H2,2H3;2H,1H2;1H,2H2;.

What are the key properties of 6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane?

6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane has a molecular weight of 2505.16 g/mol, XLogP of 23.38, 25 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-aminopyridine-2-carboxamide;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;methyl 8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane is sourced from PubChem (CID 161242735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).