3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium

C23H29N2O7Y- — CID 161228370

About 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium

3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium (PubChem CID 161228370) has the molecular formula C23H29N2O7Y- and a molecular weight of 534.40 g/mol. Its IUPAC name is 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium.

Molecular Properties

• Compound Name: 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium
• PubChem CID: 161228370
• Molecular Formula: C23H29N2O7Y-
• Molecular Weight: 534.40 g/mol
• Exact Mass: 534.10
• IUPAC Name: 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium
• SMILES: C[CH-]N1C(C)=C(C(=O)OCCOC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C1C.[Y]
• InChI: InChI=1S/C23H29N2O7.Y/c1-7-24-15(4)19(22(26)31-12-11-30-6)21(17-9-8-10-18(13-17)25(28)29)20(16(24)5)23(27)32-14(2)3;/h7-10,13-14,21H,11-12H2,1-6H3;/q-1
• InChIKey: WSKKOWKARGHCTP-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 108.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.40
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium?

The IUPAC name of 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium (CID 161228370) is 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium.

What is the SMILES notation for 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium?

The canonical SMILES for 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium is C[CH-]N1C(C)=C(C(=O)OCCOC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C1C.[Y].

What is the InChIKey of 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium?

The InChIKey is WSKKOWKARGHCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N2O7.Y/c1-7-24-15(4)19(22(26)31-12-11-30-6)21(17-9-8-10-18(13-17)25(28)29)20(16(24)5)23(27)32-14(2)3;/h7-10,13-14,21H,11-12H2,1-6H3;/q-1;.

What are the key properties of 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium?

3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium has a molecular weight of 534.40 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium is sourced from PubChem (CID 161228370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).