2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(6-chloro-2-methoxy-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;[3-[[2-methoxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine

C116H142Cl5F6N17O8Si2 — CID 160843495

About 2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(6-chloro-2-methoxy-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;[3-[[2-methoxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine

2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(6-chloro-2-methoxy-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;[3-[[2-methoxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 160843495) has the molecular formula C116H142Cl5F6N17O8Si2 and a molecular weight of 2249.95 g/mol. Its IUPAC name is 2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(6-chloro-2-methoxy-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;[3-[[2-methoxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

• Compound Name: 2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(6-chloro-2-methoxy-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;[3-[[2-methoxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
• PubChem CID: 160843495
• Molecular Formula: C116H142Cl5F6N17O8Si2
• Molecular Weight: 2249.95 g/mol
• Exact Mass: 2245.91
• IUPAC Name: 2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(6-chloro-2-methoxy-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;[3-[[2-methoxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
• SMILES: C.C.C.C.C.COc1cccc(Cl)n1.COc1nc(CCc2ccc(C(F)(F)F)cc2)ccc1Cc1cn([Si](C(C)C)(C(C)C)C(C)C)c2ncccc12.COc1nc(Cl)ccc1C(O)c1c[nH]c2ncccc12.COc1nc(Cl)ccc1C=O.COc1nc(Cl)ccc1Cc1c[nH]c2ncccc12.COc1nc(Cl)ccc1Cc1cn([Si](C(C)C)(C(C)C)C(C)C)c2ncccc12.NCc1ccc(C(F)(F)F)cc1.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C32H40F3N3OSi.C23H32ClN3OSi.C14H12ClN3O2.C14H12ClN3O.C8H8F3N.C7H6ClNO2.C7H6N2.C6H6ClNO.5CH4/c1-21(2)40(22(3)4,23(5)6)38-20-26(29-9-8-18-36-30(29)38)19-25-13-17-28(37-31(25)39-7)16-12-24-10-14-27(15-11-24)32(33,34)35;1-15(2)29(16(3)4,17(5)6)27-14-19(20-9-8-12-25-22(20)27)13-18-10-11-21(24)26-23(18)28-7;1-20-14-9(4-5-11(15)18-14)12(19)10-7-17-13-8(10)3-2-6-16-13;1-19-14-9(4-5-12(15)18-14)7-10-8-17-13-11(10)3-2-6-16-13;9-8(10,11)7-3-1-6(5-12)2-4-7;1-11-7-5(4-10)2-3-6(8)9-7;1-2-6-3-5-9-7(6)8-4-1;1-9-6-4-2-3-5(7)8-6;;;;;/h8-11,13-15,17-18,20-23H,12,16,19H2,1-7H3;8-12,14-17H,13H2,1-7H3;2-7,12,19H,1H3,(H,16,17);2-6,8H,7H2,1H3,(H,16,17);1-4H,5,12H2;2-4H,1H3;1-5H,(H,8,9);2-4H,1H3;5*1H4
• InChIKey: SIIKZRMLOPAQAT-UHFFFAOYSA-N
• XLogP: 31.69
• TPSA: 317.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2249.95
LogP ≤ 5	31.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(6-chloro-2-methoxy-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;[3-[[2-methoxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine (CID 160843495) is 2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(6-chloro-2-methoxy-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;[3-[[2-methoxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine.

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

The canonical SMILES for 2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(6-chloro-2-methoxy-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;[3-[[2-methoxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine is C.C.C.C.C.COc1cccc(Cl)n1.COc1nc(CCc2ccc(C(F)(F)F)cc2)ccc1Cc1cn([Si](C(C)C)(C(C)C)C(C)C)c2ncccc12.COc1nc(Cl)ccc1C(O)c1c[nH]c2ncccc12.COc1nc(Cl)ccc1C=O.COc1nc(Cl)ccc1Cc1c[nH]c2ncccc12.COc1nc(Cl)ccc1Cc1cn([Si](C(C)C)(C(C)C)C(C)C)c2ncccc12.NCc1ccc(C(F)(F)F)cc1.c1cnc2[nH]ccc2c1.

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

The InChIKey is SIIKZRMLOPAQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F3N3OSi.C23H32ClN3OSi.C14H12ClN3O2.C14H12ClN3O.C8H8F3N.C7H6ClNO2.C7H6N2.C6H6ClNO.5CH4/c1-21(2)40(22(3)4,23(5)6)38-20-26(29-9-8-18-36-30(29)38)19-25-13-17-28(37-31(25)39-7)16-12-24-10-14-27(15-11-24)32(33,34)35;1-15(2)29(16(3)4,17(5)6)27-14-19(20-9-8-12-25-22(20)27)13-18-10-11-21(24)26-23(18)28-7;1-20-14-9(4-5-11(15)18-14)12(19)10-7-17-13-8(10)3-2-6-16-13;1-19-14-9(4-5-12(15)18-14)7-10-8-17-13-11(10)3-2-6-16-13;9-8(10,11)7-3-1-6(5-12)2-4-7;1-11-7-5(4-10)2-3-6(8)9-7;1-2-6-3-5-9-7(6)8-4-1;1-9-6-4-2-3-5(7)8-6;;;;;/h8-11,13-15,17-18,20-23H,12,16,19H2,1-7H3;8-12,14-17H,13H2,1-7H3;2-7,12,19H,1H3,(H,16,17);2-6,8H,7H2,1H3,(H,16,17);1-4H,5,12H2;2-4H,1H3;1-5H,(H,8,9);2-4H,1H3;5*1H4.

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

2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(6-chloro-2-methoxy-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;[3-[[2-methoxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 2249.95 g/mol, XLogP of 31.69, 27 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(6-chloro-2-methoxy-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methane;[3-[[2-methoxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 160843495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).