3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol

C15H12FN3O — CID 3778584

IUPAC3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol
SMILESCn1c(O)c(/N=N/c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C15H12FN3O/c1-19-13-5-3-2-4-12(13)14(15(19)20)18-17-11-8-6-10(16)7-9-11/h2-9,20H,1H3/b18-17+
InChIKeyQPLYNIJBFPVJLE-ISLYRVAYSA-N
MW269.28 g/mol
LogP4.44
Rot. Bonds2

About 3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol

3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol (PubChem CID 3778584) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol
PubChem CID3778584
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol
SMILESCn1c(O)c(/N=N/c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C15H12FN3O/c1-19-13-5-3-2-4-12(13)14(15(19)20)18-17-11-8-6-10(16)7-9-11/h2-9,20H,1H3/b18-17+
InChIKeyQPLYNIJBFPVJLE-ISLYRVAYSA-N
XLogP4.44
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol?
The IUPAC name of 3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol (CID 3778584) is 3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol?
The canonical SMILES for 3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol is Cn1c(O)c(/N=N/c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol?
The InChIKey is QPLYNIJBFPVJLE-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-19-13-5-3-2-4-12(13)14(15(19)20)18-17-11-8-6-10(16)7-9-11/h2-9,20H,1H3/b18-17+.
What are the key properties of 3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol?
3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol has a molecular weight of 269.28 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)diazenyl]-1-methylindol-2-ol is sourced from PubChem (CID 3778584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).