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

C14H8Cl2FN3O — CID 2741162

IUPAC3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/N=N/c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2FN3O/c15-7-1-3-12(10(16)5-7)19-20-13-9-6-8(17)2-4-11(9)18-14(13)21/h1-6,18,21H/b20-19+
InChIKeyLNGUPZXXIOGBHA-FMQUCBEESA-N
MW324.14 g/mol
LogP5.73
Rot. Bonds2

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

3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol (PubChem CID 2741162) has the molecular formula C14H8Cl2FN3O and a molecular weight of 324.14 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol
PubChem CID2741162
Molecular FormulaC14H8Cl2FN3O
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/N=N/c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2FN3O/c15-7-1-3-12(10(16)5-7)19-20-13-9-6-8(17)2-4-11(9)18-14(13)21/h1-6,18,21H/b20-19+
InChIKeyLNGUPZXXIOGBHA-FMQUCBEESA-N
XLogP5.73
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.14
LogP ≤ 55.73
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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Related Compounds

5-Chloro-1H-indole-2,3-dione 3-oxime
CID 198612
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
Oxindole-Based Inhibitor 20
CID 135434965
(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide
CID 273467
Isatin 3-hydrazone
CID 16906
2-[(2-Oxoindol-3-yl)amino]guanidine
CID 249068
5-Fluoro-3-[2-(4-methylphenyl)hydrazinyl]indol-2-one
CID 2741159
1-(3-chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea
CID 3005058
5-Methyl-3-[2-(2-methylphenyl)hydrazinyl]indol-2-one
CID 3091340
4-Chloro-7-methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 3097857
7-Methyl-3-(2-phenylhydrazinyl)indol-2-one
CID 4428875
(3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]
CID 135594431

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol?
The IUPAC name of 3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol (CID 2741162) is 3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol is Oc1[nH]c2ccc(F)cc2c1/N=N/c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol?
The InChIKey is LNGUPZXXIOGBHA-FMQUCBEESA-N. The full InChI is InChI=1S/C14H8Cl2FN3O/c15-7-1-3-12(10(16)5-7)19-20-13-9-6-8(17)2-4-11(9)18-14(13)21/h1-6,18,21H/b20-19+.
What are the key properties of 3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol?
3-[(2,4-dichlorophenyl)diazenyl]-5-fluoro-1H-indol-2-ol has a molecular weight of 324.14 g/mol, XLogP of 5.73, 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-fluoro-1H-indol-2-ol is sourced from PubChem (CID 2741162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).