1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C69H58BrCl3F4N8 — CID 159790754

About 1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 159790754) has the molecular formula C69H58BrCl3F4N8 and a molecular weight of 1261.53 g/mol. Its IUPAC name is 1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
• PubChem CID: 159790754
• Molecular Formula: C69H58BrCl3F4N8
• Molecular Weight: 1261.53 g/mol
• Exact Mass: 1258.30
• IUPAC Name: 1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
• SMILES: Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1.Fc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(Br)cc1.Fc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(Cl)cc1.Fc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C18H17FN2.C17H14BrFN2.C17H13Cl2FN2.C17H14ClFN2/c1-11-2-4-12(5-3-11)17-18-14(8-9-20-17)15-10-13(19)6-7-16(15)21-18;18-11-3-1-10(2-4-11)16-17-13(7-8-20-16)14-9-12(19)5-6-15(14)21-17;18-9-1-3-12(14(19)7-9)16-17-11(5-6-21-16)13-8-10(20)2-4-15(13)22-17;18-11-3-1-10(2-4-11)16-17-13(7-8-20-16)14-9-12(19)5-6-15(14)21-17/h2-7,10,17,20-21H,8-9H2,1H3;1-6,9,16,20-21H,7-8H2;1-4,7-8,16,21-22H,5-6H2;1-6,9,16,20-21H,7-8H2
• InChIKey: NINHCBBKEIFOPH-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 111.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1261.53
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?

The IUPAC name of 1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 159790754) is 1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

What is the SMILES notation for 1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?

The canonical SMILES for 1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is Cc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)cc1.Fc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(Br)cc1.Fc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(Cl)cc1.Fc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(Cl)cc1Cl.

What is the InChIKey of 1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?

The InChIKey is NINHCBBKEIFOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2.C17H14BrFN2.C17H13Cl2FN2.C17H14ClFN2/c1-11-2-4-12(5-3-11)17-18-14(8-9-20-17)15-10-13(19)6-7-16(15)21-18;18-11-3-1-10(2-4-11)16-17-13(7-8-20-16)14-9-12(19)5-6-15(14)21-17;18-9-1-3-12(14(19)7-9)16-17-11(5-6-21-16)13-8-10(20)2-4-15(13)22-17;18-11-3-1-10(2-4-11)16-17-13(7-8-20-16)14-9-12(19)5-6-15(14)21-17/h2-7,10,17,20-21H,8-9H2,1H3;1-6,9,16,20-21H,7-8H2;1-4,7-8,16,21-22H,5-6H2;1-6,9,16,20-21H,7-8H2.

What are the key properties of 1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?

1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 1261.53 g/mol, XLogP of 17.20, 4 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-chlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(2,4-dichlorophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-fluoro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 159790754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).