5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one

C8H5FN2O4 — CID 61361234

IUPAC5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(cc(F)cc2[N+](=O)[O-])C1O
InChIInChI=1S/C8H5FN2O4/c9-3-1-4-6(5(2-3)11(14)15)10-8(13)7(4)12/h1-2,7,12H,(H,10,13)
InChIKeyQQGMOJAZBLAWMU-UHFFFAOYSA-N
MW212.14 g/mol
LogP0.72
Rot. Bonds1

About 5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one (PubChem CID 61361234) has the molecular formula C8H5FN2O4 and a molecular weight of 212.14 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one
PubChem CID61361234
Molecular FormulaC8H5FN2O4
Molecular Weight212.14 g/mol
Exact Mass212.02
IUPAC Name5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(cc(F)cc2[N+](=O)[O-])C1O
InChIInChI=1S/C8H5FN2O4/c9-3-1-4-6(5(2-3)11(14)15)10-8(13)7(4)12/h1-2,7,12H,(H,10,13)
InChIKeyQQGMOJAZBLAWMU-UHFFFAOYSA-N
XLogP0.72
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 51138330
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CID 174449925
5-fluoro-7-nitro-2,3-dihydro-1H-indole
CID 138106117
(2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline
CID 92982227
3-(2,4-difluoro-6-nitrophenyl)pyrrole-2,5-dione
CID 106695119
5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 61361646
N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine
CID 81309875
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
2,5-difluoro-3-nitrobenzoic acid
CID 15622527
3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide
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CID 117303487
4-fluoro-2-(hydroxymethyl)-6-nitrophenol
CID 117280586

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one (CID 61361234) is 5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one is O=C1Nc2c(cc(F)cc2[N+](=O)[O-])C1O.
What is the InChIKey of 5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one?
The InChIKey is QQGMOJAZBLAWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O4/c9-3-1-4-6(5(2-3)11(14)15)10-8(13)7(4)12/h1-2,7,12H,(H,10,13).
What are the key properties of 5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one has a molecular weight of 212.14 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 61361234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).