2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten

C106H135Br5ClN20O13W- — CID 157367821

About 2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten

2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten (PubChem CID 157367821) has the molecular formula C106H135Br5ClN20O13W- and a molecular weight of 2516.19 g/mol. Its IUPAC name is 2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten.

Molecular Properties

• Compound Name: 2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
• PubChem CID: 157367821
• Molecular Formula: C106H135Br5ClN20O13W-
• Molecular Weight: 2516.19 g/mol
• Exact Mass: 2509.56
• IUPAC Name: 2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
• SMILES: CN(C)Cc1cccnc1Br.CN(C)Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.CN(C)Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.CN(C)Cc1cccnc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.Cc1cccnc1Br.ClCc1cccnc1Br.O=C(O)c1cccnc1Br.OCc1cccnc1Br.[CH3-].[W]
• InChI: InChI=1S/C30H39N5O5.C25H31N5O3.C18H30N4O2.C8H11BrN2.C6H5BrClN.C6H4BrNO2.C6H6BrNO.C6H6BrN.CH3.W/c1-29(2,3)39-28(38)34-17-9-11-23(19-34)35(26-22(18-33(6)7)10-8-16-31-26)27(37)21-14-12-20(13-15-21)24-25(36)30(4,5)40-32-24;1-25(2)22(31)21(28-33-25)17-9-11-18(12-10-17)24(32)30(20-8-6-13-26-15-20)23-19(16-29(3)4)7-5-14-27-23;1-18(2,3)24-17(23)22-11-7-9-15(13-22)20-16-14(12-21(4)5)8-6-10-19-16;1-11(2)6-7-4-3-5-10-8(7)9;7-6-5(4-8)2-1-3-9-6;7-5-4(6(9)10)2-1-3-8-5;7-6-5(4-9)2-1-3-8-6;1-5-3-2-4-8-6(5)7;;/h8,10,12-16,23H,9,11,17-19H2,1-7H3;5,7,9-12,14,20,26H,6,8,13,15-16H2,1-4H3;6,8,10,15H,7,9,11-13H2,1-5H3,(H,19,20);3-5H,6H2,1-2H3;1-3H,4H2;1-3H,(H,9,10);1-3,9H,4H2;2-4H,1H3;1H3;/q;;;;;;;;-1;/t23-;20-;15-;;;;;;;/m111......./s1
• InChIKey: CAEZDZJSLQMOMY-JHYNQMFDSA-N
• XLogP: 19.82
• TPSA: 374.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2516.19
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?

The IUPAC name of 2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten (CID 157367821) is 2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten.

What is the SMILES notation for 2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?

The canonical SMILES for 2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten is CN(C)Cc1cccnc1Br.CN(C)Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.CN(C)Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.CN(C)Cc1cccnc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.Cc1cccnc1Br.ClCc1cccnc1Br.O=C(O)c1cccnc1Br.OCc1cccnc1Br.[CH3-].[W].

What is the InChIKey of 2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?

The InChIKey is CAEZDZJSLQMOMY-JHYNQMFDSA-N. The full InChI is InChI=1S/C30H39N5O5.C25H31N5O3.C18H30N4O2.C8H11BrN2.C6H5BrClN.C6H4BrNO2.C6H6BrNO.C6H6BrN.CH3.W/c1-29(2,3)39-28(38)34-17-9-11-23(19-34)35(26-22(18-33(6)7)10-8-16-31-26)27(37)21-14-12-20(13-15-21)24-25(36)30(4,5)40-32-24;1-25(2)22(31)21(28-33-25)17-9-11-18(12-10-17)24(32)30(20-8-6-13-26-15-20)23-19(16-29(3)4)7-5-14-27-23;1-18(2,3)24-17(23)22-11-7-9-15(13-22)20-16-14(12-21(4)5)8-6-10-19-16;1-11(2)6-7-4-3-5-10-8(7)9;7-6-5(4-8)2-1-3-9-6;7-5-4(6(9)10)2-1-3-8-5;7-6-5(4-9)2-1-3-8-6;1-5-3-2-4-8-6(5)7;;/h8,10,12-16,23H,9,11,17-19H2,1-7H3;5,7,9-12,14,20,26H,6,8,13,15-16H2,1-4H3;6,8,10,15H,7,9,11-13H2,1-5H3,(H,19,20);3-5H,6H2,1-2H3;1-3H,4H2;1-3H,(H,9,10);1-3,9H,4H2;2-4H,1H3;1H3;/q;;;;;;;;-1;/t23-;20-;15-;;;;;;;/m111......./s1.

What are the key properties of 2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten?

2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten has a molecular weight of 2516.19 g/mol, XLogP of 19.82, 21 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-3-(chloromethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;1-(2-bromo-3-pyridinyl)-N,N-dimethylmethanamine;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-[(dimethylamino)methyl]-2-pyridinyl]-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate;carbanide;N-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten is sourced from PubChem (CID 157367821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).