6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine

C67H44Br4Cl4F6N14 — CID 159450999

About 6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine

6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine (PubChem CID 159450999) has the molecular formula C67H44Br4Cl4F6N14 and a molecular weight of 1620.60 g/mol. Its IUPAC name is 6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine.

Molecular Properties

• Compound Name: 6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine
• PubChem CID: 159450999
• Molecular Formula: C67H44Br4Cl4F6N14
• Molecular Weight: 1620.60 g/mol
• Exact Mass: 1613.93
• IUPAC Name: 6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine
• SMILES: Clc1ccccc1-c1cc2nc(Br)ccc2[nH]1.Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3Cl)cc2n1.Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3Cl)cc2n1.Nc1ccc(Br)nc1Br.Nc1ccc(Br)nc1C#Cc1ccccc1Cl
• InChI: InChI=1S/2C18H12ClF3N4.2C13H8BrClN2.C5H4Br2N2/c2*1-26-16(9-17(25-26)18(20,21)22)13-7-6-12-15(24-13)8-14(23-12)10-4-2-3-5-11(10)19;14-13-6-5-10-12(17-13)7-11(16-10)8-3-1-2-4-9(8)15;14-13-8-6-11(16)12(17-13)7-5-9-3-1-2-4-10(9)15;6-4-2-1-3(8)5(7)9-4/h2*2-9,23H,1H3;1-7,16H;1-4,6,8H,16H2;1-2H,8H2
• InChIKey: LTJJWXPCPQQWAM-UHFFFAOYSA-N
• XLogP: 20.92
• TPSA: 199.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1620.60
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine?

The IUPAC name of 6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine (CID 159450999) is 6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine.

What is the SMILES notation for 6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine?

The canonical SMILES for 6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine is Clc1ccccc1-c1cc2nc(Br)ccc2[nH]1.Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3Cl)cc2n1.Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccccc3Cl)cc2n1.Nc1ccc(Br)nc1Br.Nc1ccc(Br)nc1C#Cc1ccccc1Cl.

What is the InChIKey of 6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine?

The InChIKey is LTJJWXPCPQQWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12ClF3N4.2C13H8BrClN2.C5H4Br2N2/c2*1-26-16(9-17(25-26)18(20,21)22)13-7-6-12-15(24-13)8-14(23-12)10-4-2-3-5-11(10)19;14-13-6-5-10-12(17-13)7-11(16-10)8-3-1-2-4-9(8)15;14-13-8-6-11(16)12(17-13)7-5-9-3-1-2-4-10(9)15;6-4-2-1-3(8)5(7)9-4/h2*2-9,23H,1H3;1-7,16H;1-4,6,8H,16H2;1-2H,8H2.

What are the key properties of 6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine?

6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine has a molecular weight of 1620.60 g/mol, XLogP of 20.92, 5 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-[2-(2-chlorophenyl)ethynyl]pyridin-3-amine;5-bromo-2-(2-chlorophenyl)-1H-pyrrolo[3,2-b]pyridine;bis(2-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridine);2,6-dibromopyridin-3-amine is sourced from PubChem (CID 159450999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).