3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol

C14H9ClFN3O — CID 135836806

IUPAC3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol
SMILESOc1[nH]c2cc(F)ccc2c1/N=N/c1cccc(Cl)c1
InChIInChI=1S/C14H9ClFN3O/c15-8-2-1-3-10(6-8)18-19-13-11-5-4-9(16)7-12(11)17-14(13)20/h1-7,17,20H/b19-18+
InChIKeyRLXODQKMJJRCAB-VHEBQXMUSA-N
MW289.70 g/mol
LogP5.08
Rot. Bonds2

About 3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol

3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol (PubChem CID 135836806) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol
PubChem CID135836806
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol
SMILESOc1[nH]c2cc(F)ccc2c1/N=N/c1cccc(Cl)c1
InChIInChI=1S/C14H9ClFN3O/c15-8-2-1-3-10(6-8)18-19-13-11-5-4-9(16)7-12(11)17-14(13)20/h1-7,17,20H/b19-18+
InChIKeyRLXODQKMJJRCAB-VHEBQXMUSA-N
XLogP5.08
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.70
LogP ≤ 55.08
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

Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
CID 690109
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
Oxindole-Based Inhibitor 41
CID 135434978
Oxindole-Based Inhibitor 73
CID 135435000
(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide
CID 273467
1-(4-Methylphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea
CID 707890
1-(3-Methylphenyl)-3-[(2-oxoindol-3-yl)amino]thiourea
CID 772848
(3Z)-6-chloro-3-[(3E)-3-hydroxyiminoindolin-2-ylidene]indolin-2-one
CID 135424642
Isatin 3-hydrazone
CID 16906
2-[(2-Oxoindol-3-yl)amino]guanidine
CID 249068

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol?
The IUPAC name of 3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol (CID 135836806) is 3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol is Oc1[nH]c2cc(F)ccc2c1/N=N/c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol?
The InChIKey is RLXODQKMJJRCAB-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-8-2-1-3-10(6-8)18-19-13-11-5-4-9(16)7-12(11)17-14(13)20/h1-7,17,20H/b19-18+.
What are the key properties of 3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol?
3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol has a molecular weight of 289.70 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)diazenyl]-6-fluoro-1H-indol-2-ol is sourced from PubChem (CID 135836806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).