3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol

C14H7Cl2F2N3O — CID 136867812

IUPAC3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
SMILESOc1[nH]c2c(F)cc(F)cc2c1/N=N/c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7Cl2F2N3O/c15-6-1-2-11(9(16)3-6)20-21-13-8-4-7(17)5-10(18)12(8)19-14(13)22/h1-5,19,22H/b21-20+
InChIKeyIZFXFKYQCZPSAI-QZQOTICOSA-N
MW342.13 g/mol
LogP5.87
Rot. Bonds2

About 3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol

3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol (PubChem CID 136867812) has the molecular formula C14H7Cl2F2N3O and a molecular weight of 342.13 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
PubChem CID136867812
Molecular FormulaC14H7Cl2F2N3O
Molecular Weight342.13 g/mol
Exact Mass340.99
IUPAC Name3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
SMILESOc1[nH]c2c(F)cc(F)cc2c1/N=N/c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7Cl2F2N3O/c15-6-1-2-11(9(16)3-6)20-21-13-8-4-7(17)5-10(18)12(8)19-14(13)22/h1-5,19,22H/b21-20+
InChIKeyIZFXFKYQCZPSAI-QZQOTICOSA-N
XLogP5.87
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.13
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol?
The IUPAC name of 3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol (CID 136867812) is 3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol?
The canonical SMILES for 3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol is Oc1[nH]c2c(F)cc(F)cc2c1/N=N/c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol?
The InChIKey is IZFXFKYQCZPSAI-QZQOTICOSA-N. The full InChI is InChI=1S/C14H7Cl2F2N3O/c15-6-1-2-11(9(16)3-6)20-21-13-8-4-7(17)5-10(18)12(8)19-14(13)22/h1-5,19,22H/b21-20+.
What are the key properties of 3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol?
3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol has a molecular weight of 342.13 g/mol, XLogP of 5.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol is sourced from PubChem (CID 136867812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).