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;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine

C85H106Cl5F3N14O7Si — CID 160690952

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;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;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 160690952) has the molecular formula C85H106Cl5F3N14O7Si and a molecular weight of 1698.22 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;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;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
• PubChem CID: 160690952
• Molecular Formula: C85H106Cl5F3N14O7Si
• Molecular Weight: 1698.22 g/mol
• Exact Mass: 1694.65
• 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;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
• SMILES: C.C.C.C.C.C.COc1cccc(Cl)n1.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/C23H32ClN3OSi.C14H12ClN3O2.C14H12ClN3O.C8H8F3N.C7H6ClNO2.C7H6N2.C6H6ClNO.6CH4/c1-15(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;;;;;;/h8-12,14-17H,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;6*1H4
• InChIKey: RPJZHVAXAQLGGA-UHFFFAOYSA-N
• XLogP: 23.46
• TPSA: 277.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1698.22
LogP ≤ 5	23.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

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;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;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine (CID 160690952) 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;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;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;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine is C.C.C.C.C.C.COc1cccc(Cl)n1.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;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine?

The InChIKey is RPJZHVAXAQLGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3OSi.C14H12ClN3O2.C14H12ClN3O.C8H8F3N.C7H6ClNO2.C7H6N2.C6H6ClNO.6CH4/c1-15(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;;;;;;/h8-12,14-17H,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;6*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;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;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 1698.22 g/mol, XLogP of 23.46, 17 rotatable bonds, 5 hydrogen bond donors, and 18 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;1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 160690952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).