[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine

C59H40Cl10N12O5 — CID 159135460

About [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine

[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine (PubChem CID 159135460) has the molecular formula C59H40Cl10N12O5 and a molecular weight of 1351.58 g/mol. Its IUPAC name is [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159135460
• Molecular Formula: C59H40Cl10N12O5
• Molecular Weight: 1351.58 g/mol
• Exact Mass: 1346.01
• IUPAC Name: [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
• SMILES: NCc1ccc(Cl)cc1.O=C(Cl)c1ccc(Cl)nc1Cl.O=C(O)c1ccc(Cl)nc1Cl.O=C(c1ccc(Cl)nc1Cl)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C20H14Cl2N4O.C13H7Cl2N3O.C7H8ClN.C7H6N2.C6H2Cl3NO.C6H3Cl2NO2/c21-13-5-3-12(4-6-13)10-24-17-8-7-15(19(22)26-17)18(27)16-11-25-20-14(16)2-1-9-23-20;14-10-4-3-8(12(15)18-10)11(19)9-6-17-13-7(9)2-1-5-16-13;8-7-3-1-6(5-9)2-4-7;1-2-6-3-5-9-7(6)8-4-1;7-4-2-1-3(6(9)11)5(8)10-4;7-4-2-1-3(6(10)11)5(8)9-4/h1-9,11H,10H2,(H,23,25)(H,24,26);1-6H,(H,16,17);1-4H,5,9H2;1-5H,(H,8,9);1-2H;1-2H,(H,10,11)
• InChIKey: KHKWKFSCGOUDHE-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 264.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1351.58
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine (CID 159135460) is [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine is NCc1ccc(Cl)cc1.O=C(Cl)c1ccc(Cl)nc1Cl.O=C(O)c1ccc(Cl)nc1Cl.O=C(c1ccc(Cl)nc1Cl)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1.

What is the InChIKey of [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is KHKWKFSCGOUDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O.C13H7Cl2N3O.C7H8ClN.C7H6N2.C6H2Cl3NO.C6H3Cl2NO2/c21-13-5-3-12(4-6-13)10-24-17-8-7-15(19(22)26-17)18(27)16-11-25-20-14(16)2-1-9-23-20;14-10-4-3-8(12(15)18-10)11(19)9-6-17-13-7(9)2-1-5-16-13;8-7-3-1-6(5-9)2-4-7;1-2-6-3-5-9-7(6)8-4-1;7-4-2-1-3(6(9)11)5(8)10-4;7-4-2-1-3(6(10)11)5(8)9-4/h1-9,11H,10H2,(H,23,25)(H,24,26);1-6H,(H,16,17);1-4H,5,9H2;1-5H,(H,8,9);1-2H;1-2H,(H,10,11).

What are the key properties of [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?

[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1351.58 g/mol, XLogP of 16.82, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159135460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).