3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C63H49Cl6N9O2 — CID 158270602

About 3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 158270602) has the molecular formula C63H49Cl6N9O2 and a molecular weight of 1176.86 g/mol. Its IUPAC name is 3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

• Compound Name: 3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
• PubChem CID: 158270602
• Molecular Formula: C63H49Cl6N9O2
• Molecular Weight: 1176.86 g/mol
• Exact Mass: 1173.21
• IUPAC Name: 3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
• SMILES: Clc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(Cl)n2)cc1.O=C(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.OC(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12
• InChI: InChI=1S/C21H17Cl2N3O.C21H15Cl2N3O.C21H17Cl2N3/c2*22-14-6-3-13(4-7-14)5-8-15-9-10-17(20(23)26-15)19(27)18-12-25-21-16(18)2-1-11-24-21;22-17-7-3-14(4-8-17)5-9-18-10-6-15(20(23)26-18)12-16-13-25-21-19(16)2-1-11-24-21/h1-4,6-7,9-12,19,27H,5,8H2,(H,24,25);1-4,6-7,9-12H,5,8H2,(H,24,25);1-4,6-8,10-11,13H,5,9,12H2,(H,24,25)
• InChIKey: GIZCPEKBTSUHRP-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 162.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1176.86
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

The IUPAC name of 3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 158270602) is 3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

What is the SMILES notation for 3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

The canonical SMILES for 3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Clc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(Cl)n2)cc1.O=C(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.OC(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.

What is the InChIKey of 3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

The InChIKey is GIZCPEKBTSUHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O.C21H15Cl2N3O.C21H17Cl2N3/c2*22-14-6-3-13(4-7-14)5-8-15-9-10-17(20(23)26-15)19(27)18-12-25-21-16(18)2-1-11-24-21;22-17-7-3-14(4-8-17)5-9-18-10-6-15(20(23)26-18)12-16-13-25-21-19(16)2-1-11-24-21/h1-4,6-7,9-12,19,27H,5,8H2,(H,24,25);1-4,6-7,9-12H,5,8H2,(H,24,25);1-4,6-8,10-11,13H,5,9,12H2,(H,24,25).

What are the key properties of 3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 1176.86 g/mol, XLogP of 16.05, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 158270602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).