2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol

C110H73Br5N16O2 — CID 161402793

About 2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol

2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol (PubChem CID 161402793) has the molecular formula C110H73Br5N16O2 and a molecular weight of 2050.42 g/mol. Its IUPAC name is 2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol.

Molecular Properties

• Compound Name: 2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol
• PubChem CID: 161402793
• Molecular Formula: C110H73Br5N16O2
• Molecular Weight: 2050.42 g/mol
• Exact Mass: 2044.20
• IUPAC Name: 2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol
• SMILES: Brc1cc2ccccc2cc1Br.Cc1cc(-c2cccc(Br)n2)n[nH]1.Cc1cc2c3nc(Br)ccc3c3cc4ccccc4cc3n2n1.Cc1cc2c3nc(Br)ccc3c3cc4ccccc4cc3n2n1.Cc1cc2c3nc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3cc4ccccc4cc3n2n1.Oc1ccc2c3ccccc3n(-c3ccccn3)c2c1
• InChI: InChI=1S/C36H23N5O.2C19H12BrN3.C17H12N2O.C10H6Br2.C9H8BrN3/c1-22-18-33-36-28(29-19-23-8-2-3-9-24(23)20-32(29)41(33)39-22)15-16-35(38-36)42-25-13-14-27-26-10-4-5-11-30(26)40(31(27)21-25)34-12-6-7-17-37-34;2*1-11-8-17-19-14(6-7-18(20)21-19)15-9-12-4-2-3-5-13(12)10-16(15)23(17)22-11;20-12-8-9-14-13-5-1-2-6-15(13)19(16(14)11-12)17-7-3-4-10-18-17;11-9-5-7-3-1-2-4-8(7)6-10(9)12;1-6-5-8(13-12-6)7-3-2-4-9(10)11-7/h2-21H,1H3;2*2-10H,1H3;1-11,20H;1-6H;2-5H,1H3,(H,12,13)
• InChIKey: VULKHTMGCXROJQ-UHFFFAOYSA-N
• XLogP: 30.09
• TPSA: 197.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.42
LogP ≤ 5	30.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol?

The IUPAC name of 2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol (CID 161402793) is 2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol.

What is the SMILES notation for 2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol?

The canonical SMILES for 2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol is Brc1cc2ccccc2cc1Br.Cc1cc(-c2cccc(Br)n2)n[nH]1.Cc1cc2c3nc(Br)ccc3c3cc4ccccc4cc3n2n1.Cc1cc2c3nc(Br)ccc3c3cc4ccccc4cc3n2n1.Cc1cc2c3nc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3cc4ccccc4cc3n2n1.Oc1ccc2c3ccccc3n(-c3ccccn3)c2c1.

What is the InChIKey of 2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol?

The InChIKey is VULKHTMGCXROJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N5O.2C19H12BrN3.C17H12N2O.C10H6Br2.C9H8BrN3/c1-22-18-33-36-28(29-19-23-8-2-3-9-24(23)20-32(29)41(33)39-22)15-16-35(38-36)42-25-13-14-27-26-10-4-5-11-30(26)40(31(27)21-25)34-12-6-7-17-37-34;2*1-11-8-17-19-14(6-7-18(20)21-19)15-9-12-4-2-3-5-13(12)10-16(15)23(17)22-11;20-12-8-9-14-13-5-1-2-6-15(13)19(16(14)11-12)17-7-3-4-10-18-17;11-9-5-7-3-1-2-4-8(7)6-10(9)12;1-6-5-8(13-12-6)7-3-2-4-9(10)11-7/h2-21H,1H3;2*2-10H,1H3;1-11,20H;1-6H;2-5H,1H3,(H,12,13).

What are the key properties of 2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol?

2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol has a molecular weight of 2050.42 g/mol, XLogP of 30.09, 5 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;bis(9-bromo-4-methyl-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2,3-dibromonaphthalene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene;9-pyridin-2-ylcarbazol-2-ol is sourced from PubChem (CID 161402793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).