tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane

C53H71Cl5CuIN8O10 — CID 158562775

About tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane

tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane (PubChem CID 158562775) has the molecular formula C53H71Cl5CuIN8O10 and a molecular weight of 1347.91 g/mol. Its IUPAC name is tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane.

Molecular Properties

• Compound Name: tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane
• PubChem CID: 158562775
• Molecular Formula: C53H71Cl5CuIN8O10
• Molecular Weight: 1347.91 g/mol
• Exact Mass: 1344.21
• IUPAC Name: tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane
• SMILES: C1CCOCC1.CC(C)(C)OC(=O)c1cc(Cl)nc(Cl)c1.CC(C)(C)OC(=O)c1cc(Cl)nc(NC2CCC2)c1.NC1CCC1.O=C(O)c1cc(Cl)nc(Cl)c1.O=C(O)c1cc(NC2CCC2)nc(N2CCOCC2)c1.[Cu]I
• InChI: InChI=1S/C14H19ClN2O2.C14H19N3O3.C10H11Cl2NO2.C6H3Cl2NO2.C5H10O.C4H9N.Cu.HI/c1-14(2,3)19-13(18)9-7-11(15)17-12(8-9)16-10-5-4-6-10;18-14(19)10-8-12(15-11-2-1-3-11)16-13(9-10)17-4-6-20-7-5-17;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;7-4-1-3(6(10)11)2-5(8)9-4;1-2-4-6-5-3-1;5-4-2-1-3-4;;/h7-8,10H,4-6H2,1-3H3,(H,16,17);8-9,11H,1-7H2,(H,15,16)(H,18,19);4-5H,1-3H3;1-2H,(H,10,11);1-5H2;4H,1-3,5H2;;1H/q;;;;;;+1;/p-1
• InChIKey: HRBZYZOODJBIKB-UHFFFAOYSA-M
• XLogP: 13.23
• TPSA: 250.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1347.91
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane?

The IUPAC name of tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane (CID 158562775) is tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane.

What is the SMILES notation for tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane?

The canonical SMILES for tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane is C1CCOCC1.CC(C)(C)OC(=O)c1cc(Cl)nc(Cl)c1.CC(C)(C)OC(=O)c1cc(Cl)nc(NC2CCC2)c1.NC1CCC1.O=C(O)c1cc(Cl)nc(Cl)c1.O=C(O)c1cc(NC2CCC2)nc(N2CCOCC2)c1.[Cu]I.

What is the InChIKey of tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane?

The InChIKey is HRBZYZOODJBIKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19ClN2O2.C14H19N3O3.C10H11Cl2NO2.C6H3Cl2NO2.C5H10O.C4H9N.Cu.HI/c1-14(2,3)19-13(18)9-7-11(15)17-12(8-9)16-10-5-4-6-10;18-14(19)10-8-12(15-11-2-1-3-11)16-13(9-10)17-4-6-20-7-5-17;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;7-4-1-3(6(10)11)2-5(8)9-4;1-2-4-6-5-3-1;5-4-2-1-3-4;;/h7-8,10H,4-6H2,1-3H3,(H,16,17);8-9,11H,1-7H2,(H,15,16)(H,18,19);4-5H,1-3H3;1-2H,(H,10,11);1-5H2;4H,1-3,5H2;;1H/q;;;;;;+1;/p-1.

What are the key properties of tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane?

tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane has a molecular weight of 1347.91 g/mol, XLogP of 13.23, 9 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-morpholin-4-ylpyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;iodocopper;oxane is sourced from PubChem (CID 158562775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).