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

C46H42BCl6IN12O3Si — CID 158476733

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

11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;4-(2,6-dichloro-3-pyridinyl)pyridin-3-amine;4-iodopyridin-3-amine (PubChem CID 158476733) has the molecular formula C46H42BCl6IN12O3Si and a molecular weight of 1189.44 g/mol. Its IUPAC name is 11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;4-(2,6-dichloro-3-pyridinyl)pyridin-3-amine;4-iodopyridin-3-amine.

Molecular Properties

• Compound Name: 11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;4-(2,6-dichloro-3-pyridinyl)pyridin-3-amine;4-iodopyridin-3-amine
• PubChem CID: 158476733
• Molecular Formula: C46H42BCl6IN12O3Si
• Molecular Weight: 1189.44 g/mol
• Exact Mass: 1186.05
• IUPAC Name: 11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;4-(2,6-dichloro-3-pyridinyl)pyridin-3-amine;4-iodopyridin-3-amine
• SMILES: C[Si](C)(C)CCOCn1c2cnccc2c2ccc(Cl)nc21.Clc1ccc2c(n1)[nH]c1cnccc12.Nc1cnccc1-c1ccc(Cl)nc1Cl.Nc1cnccc1I.OB(O)c1ccc(Cl)nc1Cl
• InChI: InChI=1S/C16H20ClN3OSi.C10H7Cl2N3.C10H6ClN3.C5H4BCl2NO2.C5H5IN2/c1-22(2,3)9-8-21-11-20-14-10-18-7-6-12(14)13-4-5-15(17)19-16(13)20;11-9-2-1-7(10(12)15-9)6-3-4-14-5-8(6)13;11-9-2-1-7-6-3-4-12-5-8(6)13-10(7)14-9;7-4-2-1-3(6(10)11)5(8)9-4;6-4-1-2-8-3-5(4)7/h4-7,10H,8-9,11H2,1-3H3;1-5H,13H2;1-5H,(H,13,14);1-2,10-11H;1-3H,7H2
• InChIKey: HHAKQMBVNAKEIR-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 225.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1189.44
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

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

The IUPAC name of 11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;4-(2,6-dichloro-3-pyridinyl)pyridin-3-amine;4-iodopyridin-3-amine (CID 158476733) is 11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;4-(2,6-dichloro-3-pyridinyl)pyridin-3-amine;4-iodopyridin-3-amine.

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

The canonical SMILES for 11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;4-(2,6-dichloro-3-pyridinyl)pyridin-3-amine;4-iodopyridin-3-amine is C[Si](C)(C)CCOCn1c2cnccc2c2ccc(Cl)nc21.Clc1ccc2c(n1)[nH]c1cnccc12.Nc1cnccc1-c1ccc(Cl)nc1Cl.Nc1cnccc1I.OB(O)c1ccc(Cl)nc1Cl.

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

The InChIKey is HHAKQMBVNAKEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OSi.C10H7Cl2N3.C10H6ClN3.C5H4BCl2NO2.C5H5IN2/c1-22(2,3)9-8-21-11-20-14-10-18-7-6-12(14)13-4-5-15(17)19-16(13)20;11-9-2-1-7(10(12)15-9)6-3-4-14-5-8(6)13;11-9-2-1-7-6-3-4-12-5-8(6)13-10(7)14-9;7-4-2-1-3(6(10)11)5(8)9-4;6-4-1-2-8-3-5(4)7/h4-7,10H,8-9,11H2,1-3H3;1-5H,13H2;1-5H,(H,13,14);1-2,10-11H;1-3H,7H2.

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

11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;4-(2,6-dichloro-3-pyridinyl)pyridin-3-amine;4-iodopyridin-3-amine has a molecular weight of 1189.44 g/mol, XLogP of 11.68, 7 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[(11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;4-(2,6-dichloro-3-pyridinyl)pyridin-3-amine;4-iodopyridin-3-amine is sourced from PubChem (CID 158476733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).