4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol

C58H72ClFN8O14 — CID 160648687

About 4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol

4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol (PubChem CID 160648687) has the molecular formula C58H72ClFN8O14 and a molecular weight of 1159.71 g/mol. Its IUPAC name is 4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol.

Molecular Properties

• Compound Name: 4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol
• PubChem CID: 160648687
• Molecular Formula: C58H72ClFN8O14
• Molecular Weight: 1159.71 g/mol
• Exact Mass: 1158.48
• IUPAC Name: 4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol
• SMILES: C1COCCN1.CCOC(=O)c1cccnc1F.COCOc1cccc(O)c1C=O.ClCc1cccnc1N1CCOCC1.O=Cc1c(O)cccc1OCc1cccnc1N1CCOCC1.OCc1cccnc1N1CCOCC1
• InChI: InChI=1S/C17H18N2O4.C10H13ClN2O.C10H14N2O2.C9H10O4.C8H8FNO2.C4H9NO/c20-11-14-15(21)4-1-5-16(14)23-12-13-3-2-6-18-17(13)19-7-9-22-10-8-19;11-8-9-2-1-3-12-10(9)13-4-6-14-7-5-13;13-8-9-2-1-3-11-10(9)12-4-6-14-7-5-12;1-12-6-13-9-4-2-3-8(11)7(9)5-10;1-2-12-8(11)6-4-3-5-10-7(6)9;1-3-6-4-2-5-1/h1-6,11,21H,7-10,12H2;1-3H,4-8H2;1-3,13H,4-8H2;2-5,11H,6H2,1H3;3-5H,2H2,1H3;5H,1-4H2
• InChIKey: RKDABXIOCUOBMI-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 259.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1159.71
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol?

The IUPAC name of 4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol (CID 160648687) is 4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol.

What is the SMILES notation for 4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol?

The canonical SMILES for 4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol is C1COCCN1.CCOC(=O)c1cccnc1F.COCOc1cccc(O)c1C=O.ClCc1cccnc1N1CCOCC1.O=Cc1c(O)cccc1OCc1cccnc1N1CCOCC1.OCc1cccnc1N1CCOCC1.

What is the InChIKey of 4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol?

The InChIKey is RKDABXIOCUOBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4.C10H13ClN2O.C10H14N2O2.C9H10O4.C8H8FNO2.C4H9NO/c20-11-14-15(21)4-1-5-16(14)23-12-13-3-2-6-18-17(13)19-7-9-22-10-8-19;11-8-9-2-1-3-12-10(9)13-4-6-14-7-5-13;13-8-9-2-1-3-11-10(9)12-4-6-14-7-5-12;1-12-6-13-9-4-2-3-8(11)7(9)5-10;1-2-12-8(11)6-4-3-5-10-7(6)9;1-3-6-4-2-5-1/h1-6,11,21H,7-10,12H2;1-3H,4-8H2;1-3,13H,4-8H2;2-5,11H,6H2,1H3;3-5H,2H2,1H3;5H,1-4H2.

What are the key properties of 4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol?

4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol has a molecular weight of 1159.71 g/mol, XLogP of 6.27, 15 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(chloromethyl)-2-pyridinyl]morpholine;ethyl 2-fluoropyridine-3-carboxylate;2-hydroxy-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde;morpholine;(2-morpholin-4-yl-3-pyridinyl)methanol is sourced from PubChem (CID 160648687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).