5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one

C14H7F2N3O3 — CID 135981210

IUPAC5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2cc(F)c(F)cc2/C1=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H7F2N3O3/c15-10-5-9-12(6-11(10)16)18-14(20)13(9)17-7-1-3-8(4-2-7)19(21)22/h1-6H,(H,17,18,20)
InChIKeyFHJRPOPHPIOJQW-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.95
Rot. Bonds2

About 5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one

5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one (PubChem CID 135981210) has the molecular formula C14H7F2N3O3 and a molecular weight of 303.22 g/mol. Its IUPAC name is 5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one
PubChem CID135981210
Molecular FormulaC14H7F2N3O3
Molecular Weight303.22 g/mol
Exact Mass303.05
IUPAC Name5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2cc(F)c(F)cc2/C1=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H7F2N3O3/c15-10-5-9-12(6-11(10)16)18-14(20)13(9)17-7-1-3-8(4-2-7)19(21)22/h1-6H,(H,17,18,20)
InChIKeyFHJRPOPHPIOJQW-UHFFFAOYSA-N
XLogP2.95
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

3-(4-tert-butylphenyl)imino-5-nitro-1H-indol-2-one
CID 135799773
3-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-nitro-1H-indol-2-one
CID 172639983
5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one
CID 135559733
3-[3-(hydroxymethyl)phenyl]imino-5-nitro-1H-indol-2-one
CID 135472416
5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one
CID 135559321
4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226401
2-(4-nitrophenyl)imino-1,3-diazinane-4,6-dione
CID 135510190
3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one
CID 135519848
3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one
CID 135416717
5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one
CID 171716800
methane;5-nitro-1H-indole-2,3-dione
CID 174942814
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one?
The IUPAC name of 5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one (CID 135981210) is 5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one.
What is the SMILES notation for 5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one?
The canonical SMILES for 5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one is O=C1Nc2cc(F)c(F)cc2/C1=N/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one?
The InChIKey is FHJRPOPHPIOJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N3O3/c15-10-5-9-12(6-11(10)16)18-14(20)13(9)17-7-1-3-8(4-2-7)19(21)22/h1-6H,(H,17,18,20).
What are the key properties of 5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one?
5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one has a molecular weight of 303.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135981210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).