sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide

C50H59Cl3N11NaO5Y4-4 — CID 161362773

About sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide

sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide (PubChem CID 161362773) has the molecular formula C50H59Cl3N11NaO5Y4-4 and a molecular weight of 1379.07 g/mol. Its IUPAC name is sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide.

Molecular Properties

• Compound Name: sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide
• PubChem CID: 161362773
• Molecular Formula: C50H59Cl3N11NaO5Y4-4
• Molecular Weight: 1379.07 g/mol
• Exact Mass: 1376.99
• IUPAC Name: sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide
• SMILES: CC.CC.CC.CC.CC.CNC(=O)c1c[n-]c2ncccc12.O=C(O)c1c[n-]c2ncccc12.O=C(c1c[n-]c2ncccc12)C(Cl)(Cl)Cl.[Na+].[OH-].[Y].[Y].[Y].[Y].c1cnc2[n-]ccc2c1.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C9H5Cl3N2O.C9H9N3O.C8H6N2O2.C7H6N2.C7H5N2.5C2H6.Na.H2O.4Y/c10-9(11,12)7(15)6-4-14-8-5(6)2-1-3-13-8;1-10-9(13)7-5-12-8-6(7)3-2-4-11-8;11-8(12)6-4-10-7-5(6)2-1-3-9-7;2*1-2-6-3-5-9-7(6)8-4-1;5*1-2;;;;;;/h1-4H,(H,13,14,15);2-5H,1H3,(H2,10,11,12,13);1-4H,(H2,9,10,11,12);1-5H,(H,8,9);1-5H;5*1-2H3;;1H2;;;;/q;;;;-1;;;;;;+1;;;;;/p-4
• InChIKey: QLBHWOXSBYATRW-UHFFFAOYSA-J
• XLogP: 8.89
• TPSA: 250.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1379.07
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide?

The IUPAC name of sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide (CID 161362773) is sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide.

What is the SMILES notation for sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide?

The canonical SMILES for sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide is CC.CC.CC.CC.CC.CNC(=O)c1c[n-]c2ncccc12.O=C(O)c1c[n-]c2ncccc12.O=C(c1c[n-]c2ncccc12)C(Cl)(Cl)Cl.[Na+].[OH-].[Y].[Y].[Y].[Y].c1cnc2[n-]ccc2c1.c1cnc2[nH]ccc2c1.

What is the InChIKey of sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide?

The InChIKey is QLBHWOXSBYATRW-UHFFFAOYSA-J. The full InChI is InChI=1S/C9H5Cl3N2O.C9H9N3O.C8H6N2O2.C7H6N2.C7H5N2.5C2H6.Na.H2O.4Y/c10-9(11,12)7(15)6-4-14-8-5(6)2-1-3-13-8;1-10-9(13)7-5-12-8-6(7)3-2-4-11-8;11-8(12)6-4-10-7-5(6)2-1-3-9-7;2*1-2-6-3-5-9-7(6)8-4-1;5*1-2;;;;;;/h1-4H,(H,13,14,15);2-5H,1H3,(H2,10,11,12,13);1-4H,(H2,9,10,11,12);1-5H,(H,8,9);1-5H;5*1-2H3;;1H2;;;;/q;;;;-1;;;;;;+1;;;;;/p-4.

What are the key properties of sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide?

sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide has a molecular weight of 1379.07 g/mol, XLogP of 8.89, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide is sourced from PubChem (CID 161362773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).