2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate

C76H65Cl4I3N10O14S — CID 160946673

About 2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate

2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate (PubChem CID 160946673) has the molecular formula C76H65Cl4I3N10O14S and a molecular weight of 1897.00 g/mol. Its IUPAC name is 2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate.

Molecular Properties

• Compound Name: 2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate
• PubChem CID: 160946673
• Molecular Formula: C76H65Cl4I3N10O14S
• Molecular Weight: 1897.00 g/mol
• Exact Mass: 1894.03
• IUPAC Name: 2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate
• SMILES: COC(=O)c1cc(I)cc(Cl)c1N.COC(=O)c1cc(I)ccc1N.COc1ccccc1-c1c[nH]c2ncc(-c3cc(Cl)c(N)c(C(=O)N4CCOCC4)c3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(Cl)c(N)c(C(=O)O)c3)cc12.Nc1c(Cl)cc(I)cc1C(=O)O
• InChI: InChI=1S/C28H22ClN3O5S.C25H23ClN4O3.C8H7ClINO2.C8H8INO2.C7H5ClINO2/c1-16-7-9-19(10-8-16)38(35,36)32-15-23(20-5-3-4-6-25(20)37-2)21-12-18(14-31-27(21)32)17-11-22(28(33)34)26(30)24(29)13-17;1-32-22-5-3-2-4-17(22)20-14-29-24-18(20)11-16(13-28-24)15-10-19(23(27)21(26)12-15)25(31)30-6-8-33-9-7-30;1-13-8(12)5-2-4(10)3-6(9)7(5)11;1-12-8(11)6-4-5(9)2-3-7(6)10;8-5-2-3(9)1-4(6(5)10)7(11)12/h3-15H,30H2,1-2H3,(H,33,34);2-5,10-14H,6-9,27H2,1H3,(H,28,29);2-3H,11H2,1H3;2-4H,10H2,1H3;1-2H,10H2,(H,11,12)
• InChIKey: SVFBVAROVUYGHB-UHFFFAOYSA-N
• XLogP: 16.67
• TPSA: 385.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1897.00
LogP ≤ 5	16.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate?

The IUPAC name of 2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate (CID 160946673) is 2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate.

What is the SMILES notation for 2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate?

The canonical SMILES for 2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate is COC(=O)c1cc(I)cc(Cl)c1N.COC(=O)c1cc(I)ccc1N.COc1ccccc1-c1c[nH]c2ncc(-c3cc(Cl)c(N)c(C(=O)N4CCOCC4)c3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(Cl)c(N)c(C(=O)O)c3)cc12.Nc1c(Cl)cc(I)cc1C(=O)O.

What is the InChIKey of 2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate?

The InChIKey is SVFBVAROVUYGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3O5S.C25H23ClN4O3.C8H7ClINO2.C8H8INO2.C7H5ClINO2/c1-16-7-9-19(10-8-16)38(35,36)32-15-23(20-5-3-4-6-25(20)37-2)21-12-18(14-31-27(21)32)17-11-22(28(33)34)26(30)24(29)13-17;1-32-22-5-3-2-4-17(22)20-14-29-24-18(20)11-16(13-28-24)15-10-19(23(27)21(26)12-15)25(31)30-6-8-33-9-7-30;1-13-8(12)5-2-4(10)3-6(9)7(5)11;1-12-8(11)6-4-5(9)2-3-7(6)10;8-5-2-3(9)1-4(6(5)10)7(11)12/h3-15H,30H2,1-2H3,(H,33,34);2-5,10-14H,6-9,27H2,1H3,(H,28,29);2-3H,11H2,1H3;2-4H,10H2,1H3;1-2H,10H2,(H,11,12).

What are the key properties of 2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate?

2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate has a molecular weight of 1897.00 g/mol, XLogP of 16.67, 13 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-chloro-5-iodobenzoic acid;2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]benzoic acid;[2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone;methyl 2-amino-3-chloro-5-iodobenzoate;methyl 2-amino-5-iodobenzoate is sourced from PubChem (CID 160946673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).