sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

C34H33Cl3N9NaO6 — CID 159074493

About sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 159074493) has the molecular formula C34H33Cl3N9NaO6 and a molecular weight of 793.04 g/mol. Its IUPAC name is sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159074493
• Molecular Formula: C34H33Cl3N9NaO6
• Molecular Weight: 793.04 g/mol
• Exact Mass: 791.15
• IUPAC Name: sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
• SMILES: CCOC(=O)Cl.CCOC(=O)n1ccc2ccc(Cl)nc21.Clc1ccc2cc[nH]c2n1.On1cccc2ccnc1-2.[NH-]O.[Na+].c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C10H9ClN2O2.C7H5ClN2.C7H6N2O.C7H6N2.C3H5ClO2.H2NO.Na/c1-2-15-10(14)13-6-5-7-3-4-8(11)12-9(7)13;8-6-2-1-5-3-4-9-7(5)10-6;10-9-5-1-2-6-3-4-8-7(6)9;1-2-6-3-5-9-7(6)8-4-1;1-2-6-3(4)5;1-2;/h3-6H,2H2,1H3;1-4H,(H,9,10);1-5,10H;1-5H,(H,8,9);2H2,1H3;1-2H;/q;;;;;-1;+1
• InChIKey: KUKOWMZKGNYFRW-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 209.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 2
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	793.04
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (CID 159074493) is sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is CCOC(=O)Cl.CCOC(=O)n1ccc2ccc(Cl)nc21.Clc1ccc2cc[nH]c2n1.On1cccc2ccnc1-2.[NH-]O.[Na+].c1cnc2[nH]ccc2c1.

What is the InChIKey of sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is KUKOWMZKGNYFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2.C7H5ClN2.C7H6N2O.C7H6N2.C3H5ClO2.H2NO.Na/c1-2-15-10(14)13-6-5-7-3-4-8(11)12-9(7)13;8-6-2-1-5-3-4-9-7(5)10-6;10-9-5-1-2-6-3-4-8-7(6)9;1-2-6-3-5-9-7(6)8-4-1;1-2-6-3(4)5;1-2;/h3-6H,2H2,1H3;1-4H,(H,9,10);1-5,10H;1-5H,(H,8,9);2H2,1H3;1-2H;/q;;;;;-1;+1.

What are the key properties of sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 793.04 g/mol, XLogP of 6.51, 2 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;6-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl carbonochloridate;ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate;hydroxyazanide;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159074493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).