4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine

C63H46Cl3F3N6O6 — CID 158558449

About 4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine

4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine (PubChem CID 158558449) has the molecular formula C63H46Cl3F3N6O6 and a molecular weight of 1146.45 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158558449
• Molecular Formula: C63H46Cl3F3N6O6
• Molecular Weight: 1146.45 g/mol
• Exact Mass: 1144.25
• IUPAC Name: 4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
• SMILES: O=C(c1ccc(OCc2ccc(Cl)cc2)c(F)c1)c1c[nH]c2ncccc12.O=Cc1ccc(OCc2ccc(Cl)cc2)c(F)c1.OC(c1ccc(OCc2ccc(Cl)cc2)c(F)c1)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C21H16ClFN2O2.C21H14ClFN2O2.C14H10ClFO2.C7H6N2/c2*22-15-6-3-13(4-7-15)12-27-19-8-5-14(10-18(19)23)20(26)17-11-25-21-16(17)2-1-9-24-21;15-12-4-1-10(2-5-12)9-18-14-6-3-11(8-17)7-13(14)16;1-2-6-3-5-9-7(6)8-4-1/h1-11,20,26H,12H2,(H,24,25);1-11H,12H2,(H,24,25);1-8H,9H2;1-5H,(H,8,9)
• InChIKey: HQOVDQFHKCELQI-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 168.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1146.45
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine (CID 158558449) is 4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine is O=C(c1ccc(OCc2ccc(Cl)cc2)c(F)c1)c1c[nH]c2ncccc12.O=Cc1ccc(OCc2ccc(Cl)cc2)c(F)c1.OC(c1ccc(OCc2ccc(Cl)cc2)c(F)c1)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1.

What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is HQOVDQFHKCELQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O2.C21H14ClFN2O2.C14H10ClFO2.C7H6N2/c2*22-15-6-3-13(4-7-15)12-27-19-8-5-14(10-18(19)23)20(26)17-11-25-21-16(17)2-1-9-24-21;15-12-4-1-10(2-5-12)9-18-14-6-3-11(8-17)7-13(14)16;1-2-6-3-5-9-7(6)8-4-1/h1-11,20,26H,12H2,(H,24,25);1-11H,12H2,(H,24,25);1-8H,9H2;1-5H,(H,8,9).

What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?

4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1146.45 g/mol, XLogP of 15.61, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-chlorophenyl)methoxy]-3-fluorobenzaldehyde;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158558449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).