3-bromo-6-fluoro-1H-indole-2-carbaldehyde

C9H5BrFNO — CID 115044531

IUPAC3-bromo-6-fluoro-1H-indole-2-carbaldehyde
SMILESO=Cc1[nH]c2cc(F)ccc2c1Br
InChIInChI=1S/C9H5BrFNO/c10-9-6-2-1-5(11)3-7(6)12-8(9)4-13/h1-4,12H
InChIKeyRETKAGPPEBQMQA-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.88
Rot. Bonds1

About 3-bromo-6-fluoro-1H-indole-2-carbaldehyde

3-bromo-6-fluoro-1H-indole-2-carbaldehyde (PubChem CID 115044531) has the molecular formula C9H5BrFNO and a molecular weight of 242.05 g/mol. Its IUPAC name is 3-bromo-6-fluoro-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-6-fluoro-1H-indole-2-carbaldehyde
PubChem CID115044531
Molecular FormulaC9H5BrFNO
Molecular Weight242.05 g/mol
Exact Mass240.95
IUPAC Name3-bromo-6-fluoro-1H-indole-2-carbaldehyde
SMILESO=Cc1[nH]c2cc(F)ccc2c1Br
InChIInChI=1S/C9H5BrFNO/c10-9-6-2-1-5(11)3-7(6)12-8(9)4-13/h1-4,12H
InChIKeyRETKAGPPEBQMQA-UHFFFAOYSA-N
XLogP2.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-bromo-6-fluoro-1H-indole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde
CID 91619062
2-bromo-7-fluoro-1H-quinolin-4-one
CID 133056060
7-fluoro-9H-carbazole-3-carbaldehyde
CID 90202443
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84620523
5-fluoro-3-methoxy-1H-indole-2-carbaldehyde
CID 82402316
6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one
CID 14624971
(2R,4S)-4-fluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylic acid
CID 138596061
6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde
CID 83753028
2-cyclopentyl-7-fluoro-1H-quinolin-4-one
CID 113390333
2-amino-6-fluoro-1H-indole-3-carboxamide
CID 59189715
7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione
CID 18929961

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-1H-indole-2-carbaldehyde?
The IUPAC name of 3-bromo-6-fluoro-1H-indole-2-carbaldehyde (CID 115044531) is 3-bromo-6-fluoro-1H-indole-2-carbaldehyde.
What is the SMILES notation for 3-bromo-6-fluoro-1H-indole-2-carbaldehyde?
The canonical SMILES for 3-bromo-6-fluoro-1H-indole-2-carbaldehyde is O=Cc1[nH]c2cc(F)ccc2c1Br.
What is the InChIKey of 3-bromo-6-fluoro-1H-indole-2-carbaldehyde?
The InChIKey is RETKAGPPEBQMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO/c10-9-6-2-1-5(11)3-7(6)12-8(9)4-13/h1-4,12H.
What are the key properties of 3-bromo-6-fluoro-1H-indole-2-carbaldehyde?
3-bromo-6-fluoro-1H-indole-2-carbaldehyde has a molecular weight of 242.05 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-1H-indole-2-carbaldehyde is sourced from PubChem (CID 115044531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).