5-bromo-1-methyl-7-nitroindole

C9H7BrN2O2 — CID 67236498

IUPAC5-bromo-1-methyl-7-nitroindole
SMILESCn1ccc2cc(Br)cc([N+](=O)[O-])c21
InChIInChI=1S/C9H7BrN2O2/c1-11-3-2-6-4-7(10)5-8(9(6)11)12(13)14/h2-5H,1H3
InChIKeyQEKCOTPRXZPSPZ-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.85
Rot. Bonds1

About 5-bromo-1-methyl-7-nitroindole

5-bromo-1-methyl-7-nitroindole (PubChem CID 67236498) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 5-bromo-1-methyl-7-nitroindole.

Molecular Properties

Compound Name5-bromo-1-methyl-7-nitroindole
PubChem CID67236498
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name5-bromo-1-methyl-7-nitroindole
SMILESCn1ccc2cc(Br)cc([N+](=O)[O-])c21
InChIInChI=1S/C9H7BrN2O2/c1-11-3-2-6-4-7(10)5-8(9(6)11)12(13)14/h2-5H,1H3
InChIKeyQEKCOTPRXZPSPZ-UHFFFAOYSA-N
XLogP2.85
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.85
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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-7-nitroindole?
The IUPAC name of 5-bromo-1-methyl-7-nitroindole (CID 67236498) is 5-bromo-1-methyl-7-nitroindole.
What is the SMILES notation for 5-bromo-1-methyl-7-nitroindole?
The canonical SMILES for 5-bromo-1-methyl-7-nitroindole is Cn1ccc2cc(Br)cc([N+](=O)[O-])c21.
What is the InChIKey of 5-bromo-1-methyl-7-nitroindole?
The InChIKey is QEKCOTPRXZPSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-11-3-2-6-4-7(10)5-8(9(6)11)12(13)14/h2-5H,1H3.
What are the key properties of 5-bromo-1-methyl-7-nitroindole?
5-bromo-1-methyl-7-nitroindole has a molecular weight of 255.07 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-7-nitroindole is sourced from PubChem (CID 67236498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).