diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid

C35H53F3I2N6O10 — CID 162167951

About diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid

diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid (PubChem CID 162167951) has the molecular formula C35H53F3I2N6O10 and a molecular weight of 1028.64 g/mol. Its IUPAC name is diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid
• PubChem CID: 162167951
• Molecular Formula: C35H53F3I2N6O10
• Molecular Weight: 1028.64 g/mol
• Exact Mass: 1028.19
• IUPAC Name: diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid
• SMILES: C.CCOC(=O)c1ccc(N2CCOC(CN)C2)nc1.CCOC(=O)c1ccc(N2CCOC(CNC(=O)OC(C)(C)C)C2)nc1.ICI.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H27N3O5.C13H19N3O3.C2HF3O2.CH2I2.CH4/c1-5-24-16(22)13-6-7-15(19-10-13)21-8-9-25-14(12-21)11-20-17(23)26-18(2,3)4;1-2-18-13(17)10-3-4-12(15-8-10)16-5-6-19-11(7-14)9-16;3-2(4,5)1(6)7;2-1-3;/h6-7,10,14H,5,8-9,11-12H2,1-4H3,(H,20,23);3-4,8,11H,2,5-7,9,14H2,1H3;(H,6,7);1H2;1H4
• InChIKey: DBDDRLWETZOFDL-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 204.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1028.64
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid?

The IUPAC name of diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid (CID 162167951) is diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid.

What is the SMILES notation for diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid?

The canonical SMILES for diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid is C.CCOC(=O)c1ccc(N2CCOC(CN)C2)nc1.CCOC(=O)c1ccc(N2CCOC(CNC(=O)OC(C)(C)C)C2)nc1.ICI.O=C(O)C(F)(F)F.

What is the InChIKey of diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid?

The InChIKey is DBDDRLWETZOFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5.C13H19N3O3.C2HF3O2.CH2I2.CH4/c1-5-24-16(22)13-6-7-15(19-10-13)21-8-9-25-14(12-21)11-20-17(23)26-18(2,3)4;1-2-18-13(17)10-3-4-12(15-8-10)16-5-6-19-11(7-14)9-16;3-2(4,5)1(6)7;2-1-3;/h6-7,10,14H,5,8-9,11-12H2,1-4H3,(H,20,23);3-4,8,11H,2,5-7,9,14H2,1H3;(H,6,7);1H2;1H4.

What are the key properties of diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid?

diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid has a molecular weight of 1028.64 g/mol, XLogP of 5.49, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162167951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).