5-bromo-1-ethyl-7-nitro-2,3-dihydroindole

C10H11BrN2O2 — CID 10564019

IUPAC5-bromo-1-ethyl-7-nitro-2,3-dihydroindole
SMILESCCN1CCc2cc(Br)cc([N+](=O)[O-])c21
InChIInChI=1S/C10H11BrN2O2/c1-2-12-4-3-7-5-8(11)6-9(10(7)12)13(14)15/h5-6H,2-4H2,1H3
InChIKeyHXNWCHLUKXKIJQ-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.74
Rot. Bonds2

About 5-bromo-1-ethyl-7-nitro-2,3-dihydroindole

5-bromo-1-ethyl-7-nitro-2,3-dihydroindole (PubChem CID 10564019) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-bromo-1-ethyl-7-nitro-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-1-ethyl-7-nitro-2,3-dihydroindole
PubChem CID10564019
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name5-bromo-1-ethyl-7-nitro-2,3-dihydroindole
SMILESCCN1CCc2cc(Br)cc([N+](=O)[O-])c21
InChIInChI=1S/C10H11BrN2O2/c1-2-12-4-3-7-5-8(11)6-9(10(7)12)13(14)15/h5-6H,2-4H2,1H3
InChIKeyHXNWCHLUKXKIJQ-UHFFFAOYSA-N
XLogP2.74
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.74
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-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-3-(dimethylamino)propan-1-one
CID 112536945
6-bromo-8-nitro-1-propyl-3,4-dihydro-2H-quinolin-3-amine
CID 70062965
(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-(3,4-dimethylphenyl)methanone
CID 112536983
1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone
CID 112536934
1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-phenoxyethanone
CID 112537015
1-(4-bromo-2-methyl-6-nitrophenyl)piperidine
CID 151284245
(6-bromo-1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methanol
CID 15053146
1-(2-chloro-4-methyl-6-nitrophenyl)-4-ethylpiperazine
CID 50879491
7-ethyl-2-methyl-3-nitro-5,6,8,9-tetrahydropyrido[2,3-d]azepine
CID 130246399
1-[(3-bromo-5-nitrophenyl)methyl]-2,3-dihydroindol-7-amine
CID 103351376
5-bromo-2-ethyl-1-methoxy-3-nitrobenzene
CID 158352726
5'-bromo-1'-methyl-7'-nitrospiro[cyclohexane-1,3'-indole]-2'-one
CID 177197193

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-7-nitro-2,3-dihydroindole?
The IUPAC name of 5-bromo-1-ethyl-7-nitro-2,3-dihydroindole (CID 10564019) is 5-bromo-1-ethyl-7-nitro-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-1-ethyl-7-nitro-2,3-dihydroindole?
The canonical SMILES for 5-bromo-1-ethyl-7-nitro-2,3-dihydroindole is CCN1CCc2cc(Br)cc([N+](=O)[O-])c21.
What is the InChIKey of 5-bromo-1-ethyl-7-nitro-2,3-dihydroindole?
The InChIKey is HXNWCHLUKXKIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-2-12-4-3-7-5-8(11)6-9(10(7)12)13(14)15/h5-6H,2-4H2,1H3.
What are the key properties of 5-bromo-1-ethyl-7-nitro-2,3-dihydroindole?
5-bromo-1-ethyl-7-nitro-2,3-dihydroindole has a molecular weight of 271.11 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-7-nitro-2,3-dihydroindole is sourced from PubChem (CID 10564019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).