5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide

C86H101BBr5ClN26O9S3 — CID 158599706

About 5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide

5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 158599706) has the molecular formula C86H101BBr5ClN26O9S3 and a molecular weight of 2184.91 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 158599706
• Molecular Formula: C86H101BBr5ClN26O9S3
• Molecular Weight: 2184.91 g/mol
• Exact Mass: 2178.31
• IUPAC Name: 5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc2ccc(-c3cnc4c(c3)NC(C)(C)N4C)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.CN1c2ncc(Br)cc2NC1(C)C.CNc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(C)C.CNc1ncc(Br)cc1N.CNc1ncc(Br)cc1NC(C)C.CNc1ncc(Br)cc1[N+](=O)[O-].O=[N+]([O-])c1cc(Br)cnc1Cl
• InChI: InChI=1S/C18H19N5OS.C18H21N5OS.C15H19BN2O3S.C9H12BrN3.C9H14BrN3.C6H6BrN3O2.C6H8BrN3.C5H2BrClN2O2/c1-10(24)20-17-21-13-6-5-11(8-15(13)25-17)12-7-14-16(19-9-12)23(4)18(2,3)22-14;1-10(2)21-15-7-13(9-20-17(15)19-4)12-5-6-14-16(8-12)25-18(23-14)22-11(3)24;1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16;1-9(2)12-7-4-6(10)5-11-8(7)13(9)3;1-6(2)13-8-4-7(10)5-12-9(8)11-3;1-8-6-5(10(11)12)2-4(7)3-9-6;1-9-6-5(8)2-4(7)3-10-6;6-3-1-4(9(10)11)5(7)8-2-3/h5-9,22H,1-4H3,(H,20,21,24);5-10,21H,1-4H3,(H,19,20)(H,22,23,24);6-8H,1-5H3,(H,17,18,19);4-5,12H,1-3H3;4-6,13H,1-3H3,(H,11,12);2-3H,1H3,(H,8,9);2-3H,8H2,1H3,(H,9,10);1-2H
• InChIKey: HVMFFRFIYHVBDS-UHFFFAOYSA-N
• XLogP: 21.46
• TPSA: 449.68 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2184.91
LogP ≤ 5	21.46
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide?

The IUPAC name of 5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide (CID 158599706) is 5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide.

What is the SMILES notation for 5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide?

The canonical SMILES for 5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cnc4c(c3)NC(C)(C)N4C)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.CN1c2ncc(Br)cc2NC1(C)C.CNc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(C)C.CNc1ncc(Br)cc1N.CNc1ncc(Br)cc1NC(C)C.CNc1ncc(Br)cc1[N+](=O)[O-].O=[N+]([O-])c1cc(Br)cnc1Cl.

What is the InChIKey of 5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is HVMFFRFIYHVBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS.C18H21N5OS.C15H19BN2O3S.C9H12BrN3.C9H14BrN3.C6H6BrN3O2.C6H8BrN3.C5H2BrClN2O2/c1-10(24)20-17-21-13-6-5-11(8-15(13)25-17)12-7-14-16(19-9-12)23(4)18(2,3)22-14;1-10(2)21-15-7-13(9-20-17(15)19-4)12-5-6-14-16(8-12)25-18(23-14)22-11(3)24;1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16;1-9(2)12-7-4-6(10)5-11-8(7)13(9)3;1-6(2)13-8-4-7(10)5-12-9(8)11-3;1-8-6-5(10(11)12)2-4(7)3-9-6;1-9-6-5(8)2-4(7)3-10-6;6-3-1-4(9(10)11)5(7)8-2-3/h5-9,22H,1-4H3,(H,20,21,24);5-10,21H,1-4H3,(H,19,20)(H,22,23,24);6-8H,1-5H3,(H,17,18,19);4-5,12H,1-3H3;4-6,13H,1-3H3,(H,11,12);2-3H,1H3,(H,8,9);2-3H,8H2,1H3,(H,9,10);1-2H.

What are the key properties of 5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide?

5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 2184.91 g/mol, XLogP of 21.46, 16 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-chloro-3-nitropyridine;5-bromo-N-methyl-3-nitropyridin-2-amine;5-bromo-2-N-methyl-3-N-propan-2-ylpyridine-2,3-diamine;5-bromo-2-N-methylpyridine-2,3-diamine;6-bromo-2,2,3-trimethyl-1H-imidazo[4,5-b]pyridine;N-[6-[6-(methylamino)-5-(propan-2-ylamino)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[6-(2,2,3-trimethyl-1H-imidazo[4,5-b]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 158599706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).