5-bromo-6-nitro-2,3-dihydro-1H-indole

C8H7BrN2O2 — CID 827562

IUPAC5-bromo-6-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1cc2c(cc1Br)CCN2
InChIInChI=1S/C8H7BrN2O2/c9-6-3-5-1-2-10-7(5)4-8(6)11(12)13/h3-4,10H,1-2H2
InChIKeyYABGMLXPMPPWKX-UHFFFAOYSA-N
MW243.06 g/mol
LogP2.33
Rot. Bonds1

About 5-bromo-6-nitro-2,3-dihydro-1H-indole

5-bromo-6-nitro-2,3-dihydro-1H-indole (PubChem CID 827562) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 5-bromo-6-nitro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-bromo-6-nitro-2,3-dihydro-1H-indole
PubChem CID827562
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name5-bromo-6-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1cc2c(cc1Br)CCN2
InChIInChI=1S/C8H7BrN2O2/c9-6-3-5-1-2-10-7(5)4-8(6)11(12)13/h3-4,10H,1-2H2
InChIKeyYABGMLXPMPPWKX-UHFFFAOYSA-N
XLogP2.33
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 52.33
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

5-chloro-6-nitro-2,3-dihydro-1H-indole
CID 126455496
3-bromo-4-nitrobicyclo[4.2.0]octa-1,3,5-triene
CID 130836892
5,6-dibromo-2,3-dihydro-1H-indole
CID 82626452
6-methyl-7-nitro-1,2,3,4-tetrahydroquinoline
CID 59442001
1-bromo-2,4,5-trinitrobenzene
CID 13333986
7-bromo-6-nitro-2,3-dihydro-1H-indole
CID 21338909
1,2,3,4,6,7,8,9-octahydropyrido[3,2-g]quinoline;bis(2,4,6-trinitrophenol)
CID 2749372
5-bromo-4-nitro-2,3-dihydro-1H-indole
CID 618069
5-fluoro-7-nitro-2,3-dihydro-1H-indole
CID 138106117
1-bromo-4,5-diiodo-2-nitrobenzene
CID 11503393
6-bromo-2,3-dihydro-1H-indole
CID 13098379
1,5-dibromo-2-chloro-4-nitrobenzene
CID 154213219

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-nitro-2,3-dihydro-1H-indole?
The IUPAC name of 5-bromo-6-nitro-2,3-dihydro-1H-indole (CID 827562) is 5-bromo-6-nitro-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-bromo-6-nitro-2,3-dihydro-1H-indole?
The canonical SMILES for 5-bromo-6-nitro-2,3-dihydro-1H-indole is O=[N+]([O-])c1cc2c(cc1Br)CCN2.
What is the InChIKey of 5-bromo-6-nitro-2,3-dihydro-1H-indole?
The InChIKey is YABGMLXPMPPWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c9-6-3-5-1-2-10-7(5)4-8(6)11(12)13/h3-4,10H,1-2H2.
What are the key properties of 5-bromo-6-nitro-2,3-dihydro-1H-indole?
5-bromo-6-nitro-2,3-dihydro-1H-indole has a molecular weight of 243.06 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-nitro-2,3-dihydro-1H-indole is sourced from PubChem (CID 827562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).