1-fluoro-3-nitroindole

C8H5FN2O2 — CID 151458918

IUPAC1-fluoro-3-nitroindole
SMILESO=[N+]([O-])c1cn(F)c2ccccc12
InChIInChI=1S/C8H5FN2O2/c9-10-5-8(11(12)13)6-3-1-2-4-7(6)10/h1-5H
InChIKeyPIAOXWMPFKNSHE-UHFFFAOYSA-N
MW180.14 g/mol
LogP2.28
Rot. Bonds1

About 1-fluoro-3-nitroindole

1-fluoro-3-nitroindole (PubChem CID 151458918) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 1-fluoro-3-nitroindole.

Molecular Properties

Compound Name1-fluoro-3-nitroindole
PubChem CID151458918
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name1-fluoro-3-nitroindole
SMILESO=[N+]([O-])c1cn(F)c2ccccc12
InChIInChI=1S/C8H5FN2O2/c9-10-5-8(11(12)13)6-3-1-2-4-7(6)10/h1-5H
InChIKeyPIAOXWMPFKNSHE-UHFFFAOYSA-N
XLogP2.28
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-fluoro-3-nitropyrrolo[2,3-b]pyridine
CID 141406209
2,4-dinitronaphthalene-1-thiol
CID 163754778
2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole
CID 158863407
ethane;1-methyl-4-nitroindole
CID 143310904
azanide;1,2-dinitrobenzene;platinum
CID 158959684
5-nitro-1-phenylquinolin-2-one
CID 90152623
1,5,9-trinitrotriphenylene
CID 86227277
1-nitronaphthalene;hydrate
CID 174470741
1-methyl-3-(3-nitrothiophen-2-yl)indole
CID 46210755
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole
CID 71493856
(1-methyl-3-nitroindol-7-yl)methanamine
CID 83882353
4,5-di(carbazol-9-yl)-2-nitrobenzonitrile
CID 134217290

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-nitroindole?
The IUPAC name of 1-fluoro-3-nitroindole (CID 151458918) is 1-fluoro-3-nitroindole.
What is the SMILES notation for 1-fluoro-3-nitroindole?
The canonical SMILES for 1-fluoro-3-nitroindole is O=[N+]([O-])c1cn(F)c2ccccc12.
What is the InChIKey of 1-fluoro-3-nitroindole?
The InChIKey is PIAOXWMPFKNSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-10-5-8(11(12)13)6-3-1-2-4-7(6)10/h1-5H.
What are the key properties of 1-fluoro-3-nitroindole?
1-fluoro-3-nitroindole has a molecular weight of 180.14 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-nitroindole is sourced from PubChem (CID 151458918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).