5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol

C15H12FN3O — CID 3583482

IUPAC5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol
SMILESCc1cccc(/N=N/c2c(O)[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C15H12FN3O/c1-9-3-2-4-11(7-9)18-19-14-12-8-10(16)5-6-13(12)17-15(14)20/h2-8,17,20H,1H3/b19-18+
InChIKeyONRBWPMHVAEINQ-VHEBQXMUSA-N
MW269.28 g/mol
LogP4.74
Rot. Bonds2

About 5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol

5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol (PubChem CID 3583482) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol
PubChem CID3583482
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol
SMILESCc1cccc(/N=N/c2c(O)[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C15H12FN3O/c1-9-3-2-4-11(7-9)18-19-14-12-8-10(16)5-6-13(12)17-15(14)20/h2-8,17,20H,1H3/b19-18+
InChIKeyONRBWPMHVAEINQ-VHEBQXMUSA-N
XLogP4.74
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 54.74
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-[(3-methylphenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol (CID 3583482) is 5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol is Cc1cccc(/N=N/c2c(O)[nH]c3ccc(F)cc23)c1.
What is the InChIKey of 5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is ONRBWPMHVAEINQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-3-2-4-11(7-9)18-19-14-12-8-10(16)5-6-13(12)17-15(14)20/h2-8,17,20H,1H3/b19-18+.
What are the key properties of 5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol?
5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 269.28 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 3583482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).