(3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]

C14H9FN4O3 — CID 135594431

IUPAC5-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
SMILESC1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)F)O)[N+](=O)[O-]
InChIInChI=1S/C14H9FN4O3/c15-8-1-6-12-11(7-8)13(14(20)16-12)18-17-9-2-4-10(5-3-9)19(21)22/h1-7,16,20H
InChIKeyRXBGCWCZHOBZHB-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.70
Rot. Bonds2

About (3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]

(3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone] (PubChem CID 135594431) has the molecular formula C14H9FN4O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name(3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]
PubChem CID135594431
Molecular FormulaC14H9FN4O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name5-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
SMILESC1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)F)O)[N+](=O)[O-]
InChIInChI=1S/C14H9FN4O3/c15-8-1-6-12-11(7-8)13(14(20)16-12)18-17-9-2-4-10(5-3-9)19(21)22/h1-7,16,20H
InChIKeyRXBGCWCZHOBZHB-UHFFFAOYSA-N
XLogP3.70
TPSA107.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity436

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Indirubin-3'-monoxime
CID 3707
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
Oxindole-Based Inhibitor 17
CID 135434964
Oxindole-Based Inhibitor 39
CID 135434977
Oxindole-Based Inhibitor 41
CID 135434978
Oxindole-Based Inhibitor 46
CID 135434981
Oxindole-Based Inhibitor 75
CID 135435002
(E)-1-benzyl-3-(hydroxyimino)indolin-2-one
CID 921636
Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
CID 690109
(3Z)-5-Methyl-1H-indole-2,3-dione 3-oxime
CID 583072
(3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime
CID 600593
Isatin 3-hydrazone
CID 16906

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]?
The IUPAC name of (3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone] (CID 135594431) is 5-fluoro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for (3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]?
The canonical SMILES for (3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone] is C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)F)O)[N+](=O)[O-].
What is the InChIKey of (3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]?
The InChIKey is RXBGCWCZHOBZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O3/c15-8-1-6-12-11(7-8)13(14(20)16-12)18-17-9-2-4-10(5-3-9)19(21)22/h1-7,16,20H.
What are the key properties of (3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone]?
(3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone] has a molecular weight of 300.24 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-1H-indole-2,3-dione 3-[(4-nitrophenyl)hydrazone] is sourced from PubChem (CID 135594431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).