2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol

C24H17Cl4N7O2 — CID 139976418

About 2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol

2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol (PubChem CID 139976418) has the molecular formula C24H17Cl4N7O2 and a molecular weight of 577.26 g/mol. Its IUPAC name is 2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol.

Molecular Properties

• Compound Name: 2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol
• PubChem CID: 139976418
• Molecular Formula: C24H17Cl4N7O2
• Molecular Weight: 577.26 g/mol
• Exact Mass: 575.02
• IUPAC Name: 2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol
• SMILES: Oc1c(Cl)cc(Cl)cc1C=NNc1cc(Nc2ccccc2)nc(NN=Cc2cc(Cl)cc(Cl)c2O)n1
• InChI: InChI=1S/C24H17Cl4N7O2/c25-15-6-13(22(36)18(27)8-15)11-29-34-21-10-20(31-17-4-2-1-3-5-17)32-24(33-21)35-30-12-14-7-16(26)9-19(28)23(14)37/h1-12,36-37H,(H3,31,32,33,34,35)
• InChIKey: WXNKJNALDGKJAU-UHFFFAOYSA-N
• XLogP: 7.14
• TPSA: 127.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.26
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol?

The IUPAC name of 2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol (CID 139976418) is 2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol.

What is the SMILES notation for 2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol?

The canonical SMILES for 2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol is Oc1c(Cl)cc(Cl)cc1C=NNc1cc(Nc2ccccc2)nc(NN=Cc2cc(Cl)cc(Cl)c2O)n1.

What is the InChIKey of 2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol?

The InChIKey is WXNKJNALDGKJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl4N7O2/c25-15-6-13(22(36)18(27)8-15)11-29-34-21-10-20(31-17-4-2-1-3-5-17)32-24(33-21)35-30-12-14-7-16(26)9-19(28)23(14)37/h1-12,36-37H,(H3,31,32,33,34,35).

What are the key properties of 2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol?

2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol has a molecular weight of 577.26 g/mol, XLogP of 7.14, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[6-anilino-2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4,6-dichlorophenol is sourced from PubChem (CID 139976418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).