3-bromo-9H-fluorene-9-carbaldehyde

C14H9BrO — CID 174549083

IUPAC3-bromo-9H-fluorene-9-carbaldehyde
SMILESO=CC1c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C14H9BrO/c15-9-5-6-12-13(7-9)10-3-1-2-4-11(10)14(12)8-16/h1-8,14H
InChIKeyVWLPOVCGPJJNCV-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.76
Rot. Bonds1

About 3-bromo-9H-fluorene-9-carbaldehyde

3-bromo-9H-fluorene-9-carbaldehyde (PubChem CID 174549083) has the molecular formula C14H9BrO and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-bromo-9H-fluorene-9-carbaldehyde.

Molecular Properties

Compound Name3-bromo-9H-fluorene-9-carbaldehyde
PubChem CID174549083
Molecular FormulaC14H9BrO
Molecular Weight273.13 g/mol
Exact Mass271.98
IUPAC Name3-bromo-9H-fluorene-9-carbaldehyde
SMILESO=CC1c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C14H9BrO/c15-9-5-6-12-13(7-9)10-3-1-2-4-11(10)14(12)8-16/h1-8,14H
InChIKeyVWLPOVCGPJJNCV-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-9H-fluorene-9-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9H-fluorene-9-carbaldehyde?
The IUPAC name of 3-bromo-9H-fluorene-9-carbaldehyde (CID 174549083) is 3-bromo-9H-fluorene-9-carbaldehyde.
What is the SMILES notation for 3-bromo-9H-fluorene-9-carbaldehyde?
The canonical SMILES for 3-bromo-9H-fluorene-9-carbaldehyde is O=CC1c2ccccc2-c2cc(Br)ccc21.
What is the InChIKey of 3-bromo-9H-fluorene-9-carbaldehyde?
The InChIKey is VWLPOVCGPJJNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO/c15-9-5-6-12-13(7-9)10-3-1-2-4-11(10)14(12)8-16/h1-8,14H.
What are the key properties of 3-bromo-9H-fluorene-9-carbaldehyde?
3-bromo-9H-fluorene-9-carbaldehyde has a molecular weight of 273.13 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9H-fluorene-9-carbaldehyde is sourced from PubChem (CID 174549083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).