lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide

C104H107BrF6I3LiN29NaO13Zn — CID 159654717

About lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide

lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide (PubChem CID 159654717) has the molecular formula C104H107BrF6I3LiN29NaO13Zn and a molecular weight of 2641.11 g/mol. Its IUPAC name is lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide.

Molecular Properties

• Compound Name: lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide
• PubChem CID: 159654717
• Molecular Formula: C104H107BrF6I3LiN29NaO13Zn
• Molecular Weight: 2641.11 g/mol
• Exact Mass: 2637.42
• IUPAC Name: lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide
• SMILES: COC(=O)c1cc(-n2nnnc2C(C)C)cc(-c2ccc(C)cc2)c1F.COC(=O)c1cc(-n2nnnc2C(C)C)cc(I)c1F.COC(=O)c1cc(N)cc(I)c1F.COC(=O)c1cc(NC(=O)C(C)C)cc(I)c1F.Cc1cc[c-]nc1.Cc1ccc(-c2cc(-n3nnnc3C(C)C)cc(C(=O)CCc3cnc(C)cn3)c2F)nc1.Cc1ccc(-c2cc(-n3nnnc3C(C)C)cc(C(=O)O)c2F)nc1.Cc1cnc(CN)cn1.[Li+].[N-]=[N+]=[N-].[Na+].[OH-].[Zn+]Br
• InChI: InChI=1S/C24H24FN7O.C19H19FN4O2.C17H16FN5O2.C12H12FIN4O2.C12H13FINO3.C8H7FINO2.C6H9N3.C6H6N.BrH.Li.N3.Na.H2O.Zn/c1-14(2)24-29-30-31-32(24)18-9-19(21-7-5-15(3)11-28-21)23(25)20(10-18)22(33)8-6-17-13-26-16(4)12-27-17;1-11(2)18-21-22-23-24(18)14-9-15(13-7-5-12(3)6-8-13)17(20)16(10-14)19(25)26-4;1-9(2)16-20-21-22-23(16)11-6-12(14-5-4-10(3)8-19-14)15(18)13(7-11)17(24)25;1-6(2)11-15-16-17-18(11)7-4-8(12(19)20-3)10(13)9(14)5-7;1-6(2)11(16)15-7-4-8(12(17)18-3)10(13)9(14)5-7;1-13-8(12)5-2-4(11)3-6(10)7(5)9;1-5-3-9-6(2-7)4-8-5;1-6-3-2-4-7-5-6;;;1-3-2;;;/h5,7,9-14H,6,8H2,1-4H3;5-11H,1-4H3;4-9H,1-3H3,(H,24,25);4-6H,1-3H3;4-6H,1-3H3,(H,15,16);2-3H,11H2,1H3;3-4H,2,7H2,1H3;2-3,5H,1H3;1H;;;;1H2;/q;;;;;;;-1;;+1;-1;+1;;+2/p-2
• InChIKey: QIRKYFXLCVKZAL-UHFFFAOYSA-L
• XLogP: 14.79
• TPSA: 594.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 23
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2641.11
LogP ≤ 5	14.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide?

The IUPAC name of lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide (CID 159654717) is lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide.

What is the SMILES notation for lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide?

The canonical SMILES for lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide is COC(=O)c1cc(-n2nnnc2C(C)C)cc(-c2ccc(C)cc2)c1F.COC(=O)c1cc(-n2nnnc2C(C)C)cc(I)c1F.COC(=O)c1cc(N)cc(I)c1F.COC(=O)c1cc(NC(=O)C(C)C)cc(I)c1F.Cc1cc[c-]nc1.Cc1ccc(-c2cc(-n3nnnc3C(C)C)cc(C(=O)CCc3cnc(C)cn3)c2F)nc1.Cc1ccc(-c2cc(-n3nnnc3C(C)C)cc(C(=O)O)c2F)nc1.Cc1cnc(CN)cn1.[Li+].[N-]=[N+]=[N-].[Na+].[OH-].[Zn+]Br.

What is the InChIKey of lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide?

The InChIKey is QIRKYFXLCVKZAL-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H24FN7O.C19H19FN4O2.C17H16FN5O2.C12H12FIN4O2.C12H13FINO3.C8H7FINO2.C6H9N3.C6H6N.BrH.Li.N3.Na.H2O.Zn/c1-14(2)24-29-30-31-32(24)18-9-19(21-7-5-15(3)11-28-21)23(25)20(10-18)22(33)8-6-17-13-26-16(4)12-27-17;1-11(2)18-21-22-23-24(18)14-9-15(13-7-5-12(3)6-8-13)17(20)16(10-14)19(25)26-4;1-9(2)16-20-21-22-23(16)11-6-12(14-5-4-10(3)8-19-14)15(18)13(7-11)17(24)25;1-6(2)11-15-16-17-18(11)7-4-8(12(19)20-3)10(13)9(14)5-7;1-6(2)11(16)15-7-4-8(12(17)18-3)10(13)9(14)5-7;1-13-8(12)5-2-4(11)3-6(10)7(5)9;1-5-3-9-6(2-7)4-8-5;1-6-3-2-4-7-5-6;;;1-3-2;;;/h5,7,9-14H,6,8H2,1-4H3;5-11H,1-4H3;4-9H,1-3H3,(H,24,25);4-6H,1-3H3;4-6H,1-3H3,(H,15,16);2-3H,11H2,1H3;3-4H,2,7H2,1H3;2-3,5H,1H3;1H;;;;1H2;/q;;;;;;;-1;;+1;-1;+1;;+2/p-2.

What are the key properties of lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide?

lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide has a molecular weight of 2641.11 g/mol, XLogP of 14.79, 23 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;sodium;bromozinc(1+);2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;1-[2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl]-3-(5-methylpyrazin-2-yl)propan-1-one;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide is sourced from PubChem (CID 159654717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).