C37H67ClI4N15O5V- — CID 159653474
2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium (PubChem CID 159653474) has the molecular formula C37H67ClI4N15O5V- and a molecular weight of 1396.06 g/mol. Its IUPAC name is 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium.
| Compound Name | 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium |
|---|---|
| PubChem CID | 159653474 |
| Molecular Formula | C37H67ClI4N15O5V- |
| Molecular Weight | 1396.06 g/mol |
| Exact Mass | 1395.08 |
| IUPAC Name | 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium |
| SMILES | C.C.CC(I)(I)I.CN1CCN(c2nccc(N)c2N)CC1.CN1CCN(c2nccc(N)c2[N+](=O)[O-])CC1.CN1CCNCC1.CO.C[CH-]I.Nc1ccnc(Cl)c1[N+](=O)[O-].[V] |
| InChI | InChI=1S/C10H15N5O2.C10H17N5.C5H4ClN3O2.C5H12N2.C2H3I3.C2H4I.CH4O.2CH4.V/c1-13-4-6-14(7-5-13)10-9(15(16)17)8(11)2-3-12-10;1-14-4-6-15(7-5-14)10-9(12)8(11)2-3-13-10;6-5-4(9(10)11)3(7)1-2-8-5;1-7-4-2-6-3-5-7;1-2(3,4)5;1-2-3;1-2;;;/h2-3H,4-7H2,1H3,(H2,11,12);2-3H,4-7,12H2,1H3,(H2,11,13);1-2H,(H2,7,8);6H,2-5H2,1H3;1H3;2H,1H3;2H,1H3;2*1H4;/q;;;;;-1;;;; |
| InChIKey | ZMAMPWLKYXYXFW-UHFFFAOYSA-N |
| XLogP | 6.51 |
| TPSA | 277.49 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 63 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1396.06 |
| LogP ≤ 5 | 6.51 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 18 |
| 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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'} |
|---|