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

C8H7BrN2O2 — CID 21338909

IUPAC7-bromo-6-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1ccc2c(c1Br)NCC2
InChIInChI=1S/C8H7BrN2O2/c9-7-6(11(12)13)2-1-5-3-4-10-8(5)7/h1-2,10H,3-4H2
InChIKeyWYBVLAZPMWLPGV-UHFFFAOYSA-N
MW243.06 g/mol
LogP2.33
Rot. Bonds1

About 7-bromo-6-nitro-2,3-dihydro-1H-indole

7-bromo-6-nitro-2,3-dihydro-1H-indole (PubChem CID 21338909) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 7-bromo-6-nitro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-bromo-6-nitro-2,3-dihydro-1H-indole
PubChem CID21338909
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name7-bromo-6-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1ccc2c(c1Br)NCC2
InChIInChI=1S/C8H7BrN2O2/c9-7-6(11(12)13)2-1-5-3-4-10-8(5)7/h1-2,10H,3-4H2
InChIKeyWYBVLAZPMWLPGV-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-nitro-2,3-dihydro-1H-indole?
The IUPAC name of 7-bromo-6-nitro-2,3-dihydro-1H-indole (CID 21338909) is 7-bromo-6-nitro-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-bromo-6-nitro-2,3-dihydro-1H-indole?
The canonical SMILES for 7-bromo-6-nitro-2,3-dihydro-1H-indole is O=[N+]([O-])c1ccc2c(c1Br)NCC2.
What is the InChIKey of 7-bromo-6-nitro-2,3-dihydro-1H-indole?
The InChIKey is WYBVLAZPMWLPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c9-7-6(11(12)13)2-1-5-3-4-10-8(5)7/h1-2,10H,3-4H2.
What are the key properties of 7-bromo-6-nitro-2,3-dihydro-1H-indole?
7-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 7-bromo-6-nitro-2,3-dihydro-1H-indole is sourced from PubChem (CID 21338909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).