2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid

C115H130Br7ClI5N23O19 — CID 157206944

About 2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid

2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid (PubChem CID 157206944) has the molecular formula C115H130Br7ClI5N23O19 and a molecular weight of 3367.75 g/mol. Its IUPAC name is 2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid.

Molecular Properties

• Compound Name: 2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid
• PubChem CID: 157206944
• Molecular Formula: C115H130Br7ClI5N23O19
• Molecular Weight: 3367.75 g/mol
• Exact Mass: 3358.91
• IUPAC Name: 2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid
• SMILES: C.C.C.C.C.C.C.C.C.CCc1cc(C#N)c2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)cc2c1.Cc1noc(-c2cc3cc(Br)cc(C#N)c3nc2N2CCC3(CC2)OCCO3)n1.Cc1noc(-c2cc3cc(Br)cc(I)c3nc2Cl)n1.Cc1noc(-c2cc3cc(Br)cc(I)c3nc2N2CCC3(CC2)OCCO3)n1.Cc1noc(CC(=O)O)n1.Nc1c(I)cc(Br)cc1C(=O)O.Nc1c(I)cc(Br)cc1C=O.Nc1c(I)cc(Br)cc1CO.Nc1ccc(Br)cc1C(=O)O
• InChI: InChI=1S/C22H23N5O3.C20H18BrN5O3.C19H18BrIN4O3.C12H6BrClIN3O.C7H5BrINO2.C7H7BrINO.C7H5BrINO.C7H6BrNO2.C5H6N2O3.9CH4/c1-3-15-10-16-12-18(21-24-14(2)26-30-21)20(25-19(16)17(11-15)13-23)27-6-4-22(5-7-27)28-8-9-29-22;1-12-23-19(29-25-12)16-10-13-8-15(21)9-14(11-22)17(13)24-18(16)26-4-2-20(3-5-26)27-6-7-28-20;1-11-22-18(28-24-11)14-9-12-8-13(20)10-15(21)16(12)23-17(14)25-4-2-19(3-5-25)26-6-7-27-19;1-5-16-12(19-18-5)8-3-6-2-7(13)4-9(15)10(6)17-11(8)14;8-3-1-4(7(11)12)6(10)5(9)2-3;2*8-5-1-4(3-11)7(10)6(9)2-5;8-4-1-2-6(9)5(3-4)7(10)11;1-3-6-4(10-7-3)2-5(8)9;;;;;;;;;/h10-12H,3-9H2,1-2H3;8-10H,2-7H2,1H3;8-10H,2-7H2,1H3;2-4H,1H3;1-2H,10H2,(H,11,12);1-2,11H,3,10H2;1-3H,10H2;1-3H,9H2,(H,10,11);2H2,1H3,(H,8,9);9*1H4
• InChIKey: ARLRKJNPQSGFCY-UHFFFAOYSA-N
• XLogP: 30.23
• TPSA: 612.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 14
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3367.75
LogP ≤ 5	30.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid?

The IUPAC name of 2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid (CID 157206944) is 2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid.

What is the SMILES notation for 2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid?

The canonical SMILES for 2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid is C.C.C.C.C.C.C.C.C.CCc1cc(C#N)c2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)cc2c1.Cc1noc(-c2cc3cc(Br)cc(C#N)c3nc2N2CCC3(CC2)OCCO3)n1.Cc1noc(-c2cc3cc(Br)cc(I)c3nc2Cl)n1.Cc1noc(-c2cc3cc(Br)cc(I)c3nc2N2CCC3(CC2)OCCO3)n1.Cc1noc(CC(=O)O)n1.Nc1c(I)cc(Br)cc1C(=O)O.Nc1c(I)cc(Br)cc1C=O.Nc1c(I)cc(Br)cc1CO.Nc1ccc(Br)cc1C(=O)O.

What is the InChIKey of 2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid?

The InChIKey is ARLRKJNPQSGFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3.C20H18BrN5O3.C19H18BrIN4O3.C12H6BrClIN3O.C7H5BrINO2.C7H7BrINO.C7H5BrINO.C7H6BrNO2.C5H6N2O3.9CH4/c1-3-15-10-16-12-18(21-24-14(2)26-30-21)20(25-19(16)17(11-15)13-23)27-6-4-22(5-7-27)28-8-9-29-22;1-12-23-19(29-25-12)16-10-13-8-15(21)9-14(11-22)17(13)24-18(16)26-4-2-20(3-5-26)27-6-7-28-20;1-11-22-18(28-24-11)14-9-12-8-13(20)10-15(21)16(12)23-17(14)25-4-2-19(3-5-25)26-6-7-27-19;1-5-16-12(19-18-5)8-3-6-2-7(13)4-9(15)10(6)17-11(8)14;8-3-1-4(7(11)12)6(10)5(9)2-3;2*8-5-1-4(3-11)7(10)6(9)2-5;8-4-1-2-6(9)5(3-4)7(10)11;1-3-6-4(10-7-3)2-5(8)9;;;;;;;;;/h10-12H,3-9H2,1-2H3;8-10H,2-7H2,1H3;8-10H,2-7H2,1H3;2-4H,1H3;1-2H,10H2,(H,11,12);1-2,11H,3,10H2;1-3H,10H2;1-3H,9H2,(H,10,11);2H2,1H3,(H,8,9);9*1H4.

What are the key properties of 2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid?

2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid has a molecular weight of 3367.75 g/mol, XLogP of 30.23, 14 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-bromobenzoic acid;2-amino-5-bromo-3-iodobenzaldehyde;2-amino-5-bromo-3-iodobenzoic acid;(2-amino-5-bromo-3-iodophenyl)methanol;5-(6-bromo-2-chloro-8-iodoquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;8-[6-bromo-8-iodo-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-8-carbonitrile;methane;2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid is sourced from PubChem (CID 157206944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).