7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde

C₂₄H₁₇BrCl₂N₄O₂ — CID 157157508

About 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde

7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde (PubChem CID 157157508) has the molecular formula C₂₄H₁₇BrCl₂N₄O₂ and a molecular weight of 544.24 g/mol. Its IUPAC name is 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde.

Molecular Properties

• Compound Name: 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde
• PubChem CID: 157157508
• Molecular Formula: C₂₄H₁₇BrCl₂N₄O₂
• Molecular Weight: 544.24 g/mol
• Exact Mass: 541.99
• IUPAC Name: 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde
• SMILES: Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C=O.Cn1nc2c(Br)cccc2c1C=O
• InChI: InChI=1S/C15H10Cl2N2O.C9H7BrN2O/c1-19-14(8-20)12-4-2-3-11(15(12)18-19)10-6-5-9(16)7-13(10)17;1-12-8(5-13)6-3-2-4-7(10)9(6)11-12/h2-8H,1H3;2-5H,1H3
• InChIKey: ALZIAYQTZOADGI-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 69.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.24
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde?

The IUPAC name of 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde (CID 157157508) is 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde.

What is the SMILES notation for 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde?

The canonical SMILES for 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde is Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C=O.Cn1nc2c(Br)cccc2c1C=O.

What is the InChIKey of 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde?

The InChIKey is ALZIAYQTZOADGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O.C9H7BrN2O/c1-19-14(8-20)12-4-2-3-11(15(12)18-19)10-6-5-9(16)7-13(10)17;1-12-8(5-13)6-3-2-4-7(10)9(6)11-12/h2-8H,1H3;2-5H,1H3.

What are the key properties of 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde?

7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde has a molecular weight of 544.24 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde is sourced from PubChem (CID 157157508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157157508 — identifiers, structure, computed properties (public domain)

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