6-bromo-7-fluoro-1H-indole-3-carbaldehyde

C9H5BrFNO — CID 123241299

IUPAC6-bromo-7-fluoro-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c(F)c(Br)ccc12
InChIInChI=1S/C9H5BrFNO/c10-7-2-1-6-5(4-13)3-12-9(6)8(7)11/h1-4,12H
InChIKeyZNECZMOHHMKYNR-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.88
Rot. Bonds1

About 6-bromo-7-fluoro-1H-indole-3-carbaldehyde

6-bromo-7-fluoro-1H-indole-3-carbaldehyde (PubChem CID 123241299) has the molecular formula C9H5BrFNO and a molecular weight of 242.05 g/mol. Its IUPAC name is 6-bromo-7-fluoro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-7-fluoro-1H-indole-3-carbaldehyde
PubChem CID123241299
Molecular FormulaC9H5BrFNO
Molecular Weight242.05 g/mol
Exact Mass240.95
IUPAC Name6-bromo-7-fluoro-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c(F)c(Br)ccc12
InChIInChI=1S/C9H5BrFNO/c10-7-2-1-6-5(4-13)3-12-9(6)8(7)11/h1-4,12H
InChIKeyZNECZMOHHMKYNR-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-1H-indole-3-carbaldehyde?
The IUPAC name of 6-bromo-7-fluoro-1H-indole-3-carbaldehyde (CID 123241299) is 6-bromo-7-fluoro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 6-bromo-7-fluoro-1H-indole-3-carbaldehyde?
The canonical SMILES for 6-bromo-7-fluoro-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2c(F)c(Br)ccc12.
What is the InChIKey of 6-bromo-7-fluoro-1H-indole-3-carbaldehyde?
The InChIKey is ZNECZMOHHMKYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO/c10-7-2-1-6-5(4-13)3-12-9(6)8(7)11/h1-4,12H.
What are the key properties of 6-bromo-7-fluoro-1H-indole-3-carbaldehyde?
6-bromo-7-fluoro-1H-indole-3-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 6-bromo-7-fluoro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 123241299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).