6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;1H-pyrrolo[2,3-b]pyridine

C67H65Cl3FN9O4 — CID 158612934

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

6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;1H-pyrrolo[2,3-b]pyridine (PubChem CID 158612934) has the molecular formula C67H65Cl3FN9O4 and a molecular weight of 1185.67 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158612934
• Molecular Formula: C67H65Cl3FN9O4
• Molecular Weight: 1185.67 g/mol
• Exact Mass: 1183.42
• IUPAC Name: 6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;1H-pyrrolo[2,3-b]pyridine
• SMILES: C.C.COc1nc(CCc2ccc(Cl)cc2)ccc1C(O)c1c[nH]c2ncccc12.COc1nc(CCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncccc12.O=Cc1ccc(CCc2ccc(Cl)cc2)nc1F.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C22H20ClN3O2.C22H20ClN3O.C14H11ClFNO.C7H6N2.2CH4/c1-28-22-18(20(27)19-13-25-21-17(19)3-2-12-24-21)11-10-16(26-22)9-6-14-4-7-15(23)8-5-14;1-27-22-16(13-17-14-25-21-20(17)3-2-12-24-21)7-11-19(26-22)10-6-15-4-8-18(23)9-5-15;15-12-5-1-10(2-6-12)3-7-13-8-4-11(9-18)14(16)17-13;1-2-6-3-5-9-7(6)8-4-1;;/h2-5,7-8,10-13,20,27H,6,9H2,1H3,(H,24,25);2-5,7-9,11-12,14H,6,10,13H2,1H3,(H,24,25);1-2,4-6,8-9H,3,7H2;1-5H,(H,8,9);2*1H4
• InChIKey: HXBBQGRHPIMTHB-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 180.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1185.67
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;1H-pyrrolo[2,3-b]pyridine (CID 158612934) is 6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;1H-pyrrolo[2,3-b]pyridine.

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

The canonical SMILES for 6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;1H-pyrrolo[2,3-b]pyridine is C.C.COc1nc(CCc2ccc(Cl)cc2)ccc1C(O)c1c[nH]c2ncccc12.COc1nc(CCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncccc12.O=Cc1ccc(CCc2ccc(Cl)cc2)nc1F.c1cnc2[nH]ccc2c1.

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

The InChIKey is HXBBQGRHPIMTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2.C22H20ClN3O.C14H11ClFNO.C7H6N2.2CH4/c1-28-22-18(20(27)19-13-25-21-17(19)3-2-12-24-21)11-10-16(26-22)9-6-14-4-7-15(23)8-5-14;1-27-22-16(13-17-14-25-21-20(17)3-2-12-24-21)7-11-19(26-22)10-6-15-4-8-18(23)9-5-15;15-12-5-1-10(2-6-12)3-7-13-8-4-11(9-18)14(16)17-13;1-2-6-3-5-9-7(6)8-4-1;;/h2-5,7-8,10-13,20,27H,6,9H2,1H3,(H,24,25);2-5,7-9,11-12,14H,6,10,13H2,1H3,(H,24,25);1-2,4-6,8-9H,3,7H2;1-5H,(H,8,9);2*1H4.

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

6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1185.67 g/mol, XLogP of 15.79, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-chlorophenyl)ethyl]-2-methoxy-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158612934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).