5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol

C14H7Cl3FN3O — CID 135775190

IUPAC5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/N=N/c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H7Cl3FN3O/c15-6-3-9(16)13(10(17)4-6)21-20-12-8-5-7(18)1-2-11(8)19-14(12)22/h1-5,19,22H/b21-20+
InChIKeyPPWXLSMFPXMWTO-QZQOTICOSA-N
MW358.59 g/mol
LogP6.39
Rot. Bonds2

About 5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol

5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol (PubChem CID 135775190) has the molecular formula C14H7Cl3FN3O and a molecular weight of 358.59 g/mol. Its IUPAC name is 5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol
PubChem CID135775190
Molecular FormulaC14H7Cl3FN3O
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Name5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/N=N/c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H7Cl3FN3O/c15-6-3-9(16)13(10(17)4-6)21-20-12-8-5-7(18)1-2-11(8)19-14(12)22/h1-5,19,22H/b21-20+
InChIKeyPPWXLSMFPXMWTO-QZQOTICOSA-N
XLogP6.39
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.59
LogP ≤ 56.39
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 5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol (CID 135775190) is 5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol is Oc1[nH]c2ccc(F)cc2c1/N=N/c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is PPWXLSMFPXMWTO-QZQOTICOSA-N. The full InChI is InChI=1S/C14H7Cl3FN3O/c15-6-3-9(16)13(10(17)4-6)21-20-12-8-5-7(18)1-2-11(8)19-14(12)22/h1-5,19,22H/b21-20+.
What are the key properties of 5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol?
5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 358.59 g/mol, XLogP of 6.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 135775190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).