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

C87H68ClF12N13O3 — CID 160766513

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

(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 160766513) has the molecular formula C87H68ClF12N13O3 and a molecular weight of 1607.02 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

• Compound Name: (6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
• PubChem CID: 160766513
• Molecular Formula: C87H68ClF12N13O3
• Molecular Weight: 1607.02 g/mol
• Exact Mass: 1605.51
• IUPAC Name: (6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
• SMILES: FC(F)(F)c1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.NCc1ccc(C(F)(F)F)cc1.O=C(c1ccc(CCc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(Cl)nc1)c1c[nH]c2ncccc12.OC(c1ccc(CCc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncccc12
• InChI: InChI=1S/C22H18F3N3O.C22H16F3N3O.C22H18F3N3.C13H8ClN3O.C8H8F3N/c2*23-22(24,25)16-7-3-14(4-8-16)5-9-17-10-6-15(12-27-17)20(29)19-13-28-21-18(19)2-1-11-26-21;23-22(24,25)18-7-3-15(4-8-18)5-9-19-10-6-16(13-27-19)12-17-14-28-21-20(17)2-1-11-26-21;14-11-4-3-8(6-16-11)12(18)10-7-17-13-9(10)2-1-5-15-13;9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,6-8,10-13,20,29H,5,9H2,(H,26,28);1-4,6-8,10-13H,5,9H2,(H,26,28);1-4,6-8,10-11,13-14H,5,9,12H2,(H,26,28);1-7H,(H,15,17);1-4H,5,12H2
• InChIKey: RYTDKICERVXMJW-UHFFFAOYSA-N
• XLogP: 20.20
• TPSA: 246.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1607.02
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine (CID 160766513) is (6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine.

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

The canonical SMILES for (6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.NCc1ccc(C(F)(F)F)cc1.O=C(c1ccc(CCc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(Cl)nc1)c1c[nH]c2ncccc12.OC(c1ccc(CCc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncccc12.

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

The InChIKey is RYTDKICERVXMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O.C22H16F3N3O.C22H18F3N3.C13H8ClN3O.C8H8F3N/c2*23-22(24,25)16-7-3-14(4-8-16)5-9-17-10-6-15(12-27-17)20(29)19-13-28-21-18(19)2-1-11-26-21;23-22(24,25)18-7-3-15(4-8-18)5-9-19-10-6-16(13-27-19)12-17-14-28-21-20(17)2-1-11-26-21;14-11-4-3-8(6-16-11)12(18)10-7-17-13-9(10)2-1-5-15-13;9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,6-8,10-13,20,29H,5,9H2,(H,26,28);1-4,6-8,10-13H,5,9H2,(H,26,28);1-4,6-8,10-11,13-14H,5,9,12H2,(H,26,28);1-7H,(H,15,17);1-4H,5,12H2.

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

(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 1607.02 g/mol, XLogP of 20.20, 18 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 160766513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).