tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper

C61H89Cl5CuIN10O8 — CID 157413243

About tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper

tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper (PubChem CID 157413243) has the molecular formula C61H89Cl5CuIN10O8 and a molecular weight of 1458.16 g/mol. Its IUPAC name is tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper.

Molecular Properties

• Compound Name: tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper
• PubChem CID: 157413243
• Molecular Formula: C61H89Cl5CuIN10O8
• Molecular Weight: 1458.16 g/mol
• Exact Mass: 1454.36
• IUPAC Name: tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper
• SMILES: CC(C)(C)N1CCCCC1.CC(C)(C)N1CCN(c2cc(C(=O)O)cc(NC3CCC3)n2)CC1.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.[Cu]I
• InChI: InChI=1S/C18H28N4O2.C14H19ClN2O2.C10H11Cl2NO2.C9H19N.C6H3Cl2NO2.C4H9N.Cu.HI/c1-18(2,3)22-9-7-21(8-10-22)16-12-13(17(23)24)11-15(20-16)19-14-5-4-6-14;1-14(2,3)19-13(18)9-7-11(15)17-12(8-9)16-10-5-4-6-10;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-9(2,3)10-7-5-4-6-8-10;7-4-1-3(6(10)11)2-5(8)9-4;5-4-2-1-3-4;;/h11-12,14H,4-10H2,1-3H3,(H,19,20)(H,23,24);7-8,10H,4-6H2,1-3H3,(H,16,17);4-5H,1-3H3;4-8H2,1-3H3;1-2H,(H,10,11);4H,1-3,5H2;;1H/q;;;;;;+1;/p-1
• InChIKey: BONQUFWGZCVHTL-UHFFFAOYSA-M
• XLogP: 15.40
• TPSA: 238.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1458.16
LogP ≤ 5	15.40
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;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper?

The IUPAC name of tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper (CID 157413243) is tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper.

What is the SMILES notation for tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper?

The canonical SMILES for tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper is CC(C)(C)N1CCCCC1.CC(C)(C)N1CCN(c2cc(C(=O)O)cc(NC3CCC3)n2)CC1.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.[Cu]I.

What is the InChIKey of tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper?

The InChIKey is BONQUFWGZCVHTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H28N4O2.C14H19ClN2O2.C10H11Cl2NO2.C9H19N.C6H3Cl2NO2.C4H9N.Cu.HI/c1-18(2,3)22-9-7-21(8-10-22)16-12-13(17(23)24)11-15(20-16)19-14-5-4-6-14;1-14(2,3)19-13(18)9-7-11(15)17-12(8-9)16-10-5-4-6-10;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-9(2,3)10-7-5-4-6-8-10;7-4-1-3(6(10)11)2-5(8)9-4;5-4-2-1-3-4;;/h11-12,14H,4-10H2,1-3H3,(H,19,20)(H,23,24);7-8,10H,4-6H2,1-3H3,(H,16,17);4-5H,1-3H3;4-8H2,1-3H3;1-2H,(H,10,11);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;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper?

tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper has a molecular weight of 1458.16 g/mol, XLogP of 15.40, 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;2-(4-tert-butylpiperazin-1-yl)-6-(cyclobutylamino)pyridine-4-carboxylic acid;1-tert-butylpiperidine;cyclobutanamine;2,6-dichloropyridine-4-carboxylic acid;iodocopper is sourced from PubChem (CID 157413243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).