dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride

C52H85BClIK2N6O12 — CID 158608880

About dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride

dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride (PubChem CID 158608880) has the molecular formula C52H85BClIK2N6O12 and a molecular weight of 1237.65 g/mol. Its IUPAC name is dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

• Compound Name: dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride
• PubChem CID: 158608880
• Molecular Formula: C52H85BClIK2N6O12
• Molecular Weight: 1237.65 g/mol
• Exact Mass: 1236.43
• IUPAC Name: dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride
• SMILES: C.C.C.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.COc1ncccc1C1=CCN(C(=O)OC(C)(C)C)CC1.COc1ncccc1I.Cl.O=CO[O-].O=c1[nH]cccc1C1CCNCC1.[H-].[K+].[K+]
• InChI: InChI=1S/C16H28BNO4.C16H22N2O3.C10H14N2O.C6H6INO.CH2O3.3CH4.ClH.2K.H/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)21-15(19)18-10-7-12(8-11-18)13-6-5-9-17-14(13)20-4;13-10-9(2-1-5-12-10)8-3-6-11-7-4-8;1-9-6-5(7)3-2-4-8-6;2-1-4-3;;;;;;;/h8H,9-11H2,1-7H3;5-7,9H,8,10-11H2,1-4H3;1-2,5,8,11H,3-4,6-7H2,(H,12,13);2-4H,1H3;1,3H;3*1H4;1H;;;/q;;;;;;;;;2*+1;-1/p-1
• InChIKey: QGRPEIBJFIHHOF-UHFFFAOYSA-M
• XLogP: 3.72
• TPSA: 216.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1237.65
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride?

The IUPAC name of dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride (CID 158608880) is dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride.

What is the SMILES notation for dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride?

The canonical SMILES for dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride is C.C.C.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.COc1ncccc1C1=CCN(C(=O)OC(C)(C)C)CC1.COc1ncccc1I.Cl.O=CO[O-].O=c1[nH]cccc1C1CCNCC1.[H-].[K+].[K+].

What is the InChIKey of dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride?

The InChIKey is QGRPEIBJFIHHOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H28BNO4.C16H22N2O3.C10H14N2O.C6H6INO.CH2O3.3CH4.ClH.2K.H/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)21-15(19)18-10-7-12(8-11-18)13-6-5-9-17-14(13)20-4;13-10-9(2-1-5-12-10)8-3-6-11-7-4-8;1-9-6-5(7)3-2-4-8-6;2-1-4-3;;;;;;;/h8H,9-11H2,1-7H3;5-7,9H,8,10-11H2,1-4H3;1-2,5,8,11H,3-4,6-7H2,(H,12,13);2-4H,1H3;1,3H;3*1H4;1H;;;/q;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride?

dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride has a molecular weight of 1237.65 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;oxido formate;3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 158608880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).