6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine

C73H70BBr4Cl7IN19O10Si — CID 157168038

About 6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine

6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine (PubChem CID 157168038) has the molecular formula C73H70BBr4Cl7IN19O10Si and a molecular weight of 2107.07 g/mol. Its IUPAC name is 6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine.

Molecular Properties

• Compound Name: 6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine
• PubChem CID: 157168038
• Molecular Formula: C73H70BBr4Cl7IN19O10Si
• Molecular Weight: 2107.07 g/mol
• Exact Mass: 2098.90
• IUPAC Name: 6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine
• SMILES: COc1cc(N)ccn1.COc1cc2[nH]c3nc(Cl)ccc3c2cn1.COc1cc2c(cn1)c1ccc(Cl)nc1n2COCC[Si](C)(C)C.COc1ncc(-c2ccc(Cl)nc2Cl)c(N)c1Br.COc1ncc(I)c(N)c1Br.COc1ncc2c([nH]c3nc(Cl)ccc32)c1Br.COc1nccc(N)c1Br.OB(O)c1ccc(Cl)nc1Cl
• InChI: InChI=1S/C17H22ClN3O2Si.C11H8BrCl2N3O.C11H7BrClN3O.C11H8ClN3O.C6H6BrIN2O.C6H7BrN2O.C6H8N2O.C5H4BCl2NO2/c1-22-16-9-14-13(10-19-16)12-5-6-15(18)20-17(12)21(14)11-23-7-8-24(2,3)4;1-18-11-8(12)9(15)6(4-16-11)5-2-3-7(13)17-10(5)14;1-17-11-8(12)9-6(4-14-11)5-2-3-7(13)15-10(5)16-9;1-16-10-4-8-7(5-13-10)6-2-3-9(12)15-11(6)14-8;1-11-6-4(7)5(9)3(8)2-10-6;1-10-6-5(7)4(8)2-3-9-6;1-9-6-4-5(7)2-3-8-6;7-4-2-1-3(6(10)11)5(8)9-4/h5-6,9-10H,7-8,11H2,1-4H3;2-4H,1H3,(H2,15,16);2-4H,1H3,(H,15,16);2-5H,1H3,(H,14,15);2H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9);2-4H,1H3,(H2,7,8);1-2,10-11H
• InChIKey: ANDJVXXWQSTQCG-UHFFFAOYSA-N
• XLogP: 18.89
• TPSA: 409.57 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2107.07
LogP ≤ 5	18.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine?

The IUPAC name of 6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine (CID 157168038) is 6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine.

What is the SMILES notation for 6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine?

The canonical SMILES for 6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine is COc1cc(N)ccn1.COc1cc2[nH]c3nc(Cl)ccc3c2cn1.COc1cc2c(cn1)c1ccc(Cl)nc1n2COCC[Si](C)(C)C.COc1ncc(-c2ccc(Cl)nc2Cl)c(N)c1Br.COc1ncc(I)c(N)c1Br.COc1ncc2c([nH]c3nc(Cl)ccc32)c1Br.COc1nccc(N)c1Br.OB(O)c1ccc(Cl)nc1Cl.

What is the InChIKey of 6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine?

The InChIKey is ANDJVXXWQSTQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2Si.C11H8BrCl2N3O.C11H7BrClN3O.C11H8ClN3O.C6H6BrIN2O.C6H7BrN2O.C6H8N2O.C5H4BCl2NO2/c1-22-16-9-14-13(10-19-16)12-5-6-15(18)20-17(12)21(14)11-23-7-8-24(2,3)4;1-18-11-8(12)9(15)6(4-16-11)5-2-3-7(13)17-10(5)14;1-17-11-8(12)9-6(4-14-11)5-2-3-7(13)15-10(5)16-9;1-16-10-4-8-7(5-13-10)6-2-3-9(12)15-11(6)14-8;1-11-6-4(7)5(9)3(8)2-10-6;1-10-6-5(7)4(8)2-3-9-6;1-9-6-4-5(7)2-3-8-6;7-4-2-1-3(6(10)11)5(8)9-4/h5-6,9-10H,7-8,11H2,1-4H3;2-4H,1H3,(H2,15,16);2-4H,1H3,(H,15,16);2-5H,1H3,(H,14,15);2H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9);2-4H,1H3,(H2,7,8);1-2,10-11H.

What are the key properties of 6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine?

6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine has a molecular weight of 2107.07 g/mol, XLogP of 18.89, 14 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-bromo-5-(2,6-dichloro-3-pyridinyl)-2-methoxypyridin-4-amine;3-bromo-5-iodo-2-methoxypyridin-4-amine;3-bromo-2-methoxypyridin-4-amine;11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[(11-chloro-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;2-methoxypyridin-4-amine is sourced from PubChem (CID 157168038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).