6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride

C91H102Br3Cl6FN13Si- — CID 158834870

About 6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride

6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride (PubChem CID 158834870) has the molecular formula C91H102Br3Cl6FN13Si- and a molecular weight of 1877.42 g/mol. Its IUPAC name is 6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride.

Molecular Properties

• Compound Name: 6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride
• PubChem CID: 158834870
• Molecular Formula: C91H102Br3Cl6FN13Si-
• Molecular Weight: 1877.42 g/mol
• Exact Mass: 1870.38
• IUPAC Name: 6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride
• SMILES: C#Cc1cc(Cl)cc2c3c(n(C)c12)CCN(C)C3.CC(C)[Si](C#Cc1cc(Cl)cc2c3c(n(C)c12)CCN(C)C3)(C(C)C)C(C)C.CN1CCc2[nH]c3c(Br)cc(Cl)cc3c2C1.CN1CCc2c(c3cc(Cl)cc(Br)c3n2C)C1.Cc1ccc(C#Cc2cc(Cl)cc3c4c(n(C)c23)CCN(C)C4)cn1.NNc1ccc(Cl)cc1Br.[F-]
• InChI: InChI=1S/C24H35ClN2Si.C21H20ClN3.C15H15ClN2.C13H14BrClN2.C12H12BrClN2.C6H6BrClN2.FH/c1-16(2)28(17(3)4,18(5)6)12-10-19-13-20(25)14-21-22-15-26(7)11-9-23(22)27(8)24(19)21;1-14-4-5-15(12-23-14)6-7-16-10-17(22)11-18-19-13-24(2)9-8-20(19)25(3)21(16)18;1-4-10-7-11(16)8-12-13-9-17(2)6-5-14(13)18(3)15(10)12;1-16-4-3-12-10(7-16)9-5-8(15)6-11(14)13(9)17(12)2;1-16-3-2-11-9(6-16)8-4-7(14)5-10(13)12(8)15-11;7-5-3-4(8)1-2-6(5)10-9;/h13-14,16-18H,9,11,15H2,1-8H3;4-5,10-12H,8-9,13H2,1-3H3;1,7-8H,5-6,9H2,2-3H3;5-6H,3-4,7H2,1-2H3;4-5,15H,2-3,6H2,1H3;1-3,10H,9H2;1H/p-1
• InChIKey: IXMTZMITCJORLX-UHFFFAOYSA-M
• XLogP: 19.66
• TPSA: 102.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.42
LogP ≤ 5	19.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride?

The IUPAC name of 6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride (CID 158834870) is 6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride.

What is the SMILES notation for 6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride?

The canonical SMILES for 6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride is C#Cc1cc(Cl)cc2c3c(n(C)c12)CCN(C)C3.CC(C)[Si](C#Cc1cc(Cl)cc2c3c(n(C)c12)CCN(C)C3)(C(C)C)C(C)C.CN1CCc2[nH]c3c(Br)cc(Cl)cc3c2C1.CN1CCc2c(c3cc(Cl)cc(Br)c3n2C)C1.Cc1ccc(C#Cc2cc(Cl)cc3c4c(n(C)c23)CCN(C)C4)cn1.NNc1ccc(Cl)cc1Br.[F-].

What is the InChIKey of 6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride?

The InChIKey is IXMTZMITCJORLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H35ClN2Si.C21H20ClN3.C15H15ClN2.C13H14BrClN2.C12H12BrClN2.C6H6BrClN2.FH/c1-16(2)28(17(3)4,18(5)6)12-10-19-13-20(25)14-21-22-15-26(7)11-9-23(22)27(8)24(19)21;1-14-4-5-15(12-23-14)6-7-16-10-17(22)11-18-19-13-24(2)9-8-20(19)25(3)21(16)18;1-4-10-7-11(16)8-12-13-9-17(2)6-5-14(13)18(3)15(10)12;1-16-4-3-12-10(7-16)9-5-8(15)6-11(14)13(9)17(12)2;1-16-3-2-11-9(6-16)8-4-7(14)5-10(13)12(8)15-11;7-5-3-4(8)1-2-6(5)10-9;/h13-14,16-18H,9,11,15H2,1-8H3;4-5,10-12H,8-9,13H2,1-3H3;1,7-8H,5-6,9H2,2-3H3;5-6H,3-4,7H2,1-2H3;4-5,15H,2-3,6H2,1H3;1-3,10H,9H2;1H/p-1.

What are the key properties of 6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride?

6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride has a molecular weight of 1877.42 g/mol, XLogP of 19.66, 4 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;6-bromo-8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;(2-bromo-4-chlorophenyl)hydrazine;2-(8-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethynyl-tri(propan-2-yl)silane;8-chloro-2,5-dimethyl-6-[2-(6-methyl-3-pyridinyl)ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-6-ethynyl-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;fluoride is sourced from PubChem (CID 158834870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).