5-fluoro-7-nitro-2,3-dihydro-1H-indole

C8H7FN2O2 — CID 138106117

IUPAC5-fluoro-7-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1cc(F)cc2c1NCC2
InChIInChI=1S/C8H7FN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h3-4,10H,1-2H2
InChIKeyYTEBZBNKENYUSR-UHFFFAOYSA-N
MW182.15 g/mol
LogP1.70
Rot. Bonds1

About 5-fluoro-7-nitro-2,3-dihydro-1H-indole

5-fluoro-7-nitro-2,3-dihydro-1H-indole (PubChem CID 138106117) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 5-fluoro-7-nitro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-7-nitro-2,3-dihydro-1H-indole
PubChem CID138106117
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name5-fluoro-7-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1cc(F)cc2c1NCC2
InChIInChI=1S/C8H7FN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h3-4,10H,1-2H2
InChIKeyYTEBZBNKENYUSR-UHFFFAOYSA-N
XLogP1.70
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.70
H-Bond Donors ≤ 51
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

6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one
CID 51138330
(2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline
CID 92982227
6-fluoro-8-nitro-1,2,3,4-tetrahydroquinoline-4-carbaldehyde
CID 174449925
7-bromo-6-nitro-2,3-dihydro-1H-indole
CID 21338909
1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone
CID 84656845
N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine
CID 81309875
5-chloro-6-nitro-2,3-dihydro-1H-indole
CID 126455496
5-bromo-6-nitro-2,3-dihydro-1H-indole
CID 827562
7-butyl-5-fluoro-2,3-dihydro-1H-indole
CID 119082550
5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one
CID 61361234
8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
CID 62378003
3-fluoro-6-nitrobicyclo[3.1.1]hepta-1,3,5-triene;hydrate
CID 175193181

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-nitro-2,3-dihydro-1H-indole?
The IUPAC name of 5-fluoro-7-nitro-2,3-dihydro-1H-indole (CID 138106117) is 5-fluoro-7-nitro-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-7-nitro-2,3-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-7-nitro-2,3-dihydro-1H-indole is O=[N+]([O-])c1cc(F)cc2c1NCC2.
What is the InChIKey of 5-fluoro-7-nitro-2,3-dihydro-1H-indole?
The InChIKey is YTEBZBNKENYUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h3-4,10H,1-2H2.
What are the key properties of 5-fluoro-7-nitro-2,3-dihydro-1H-indole?
5-fluoro-7-nitro-2,3-dihydro-1H-indole has a molecular weight of 182.15 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-nitro-2,3-dihydro-1H-indole is sourced from PubChem (CID 138106117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).