6-bromo-9-oxofluorene-2-carbaldehyde

C14H7BrO2 — CID 15661410

IUPAC6-bromo-9-oxofluorene-2-carbaldehyde
SMILESO=Cc1ccc2c(c1)C(=O)c1ccc(Br)cc1-2
InChIInChI=1S/C14H7BrO2/c15-9-2-4-11-12(6-9)10-3-1-8(7-16)5-13(10)14(11)17/h1-7H
InChIKeyOSBKBSFKSGDDED-UHFFFAOYSA-N
MW287.11 g/mol
LogP3.47
Rot. Bonds1

About 6-bromo-9-oxofluorene-2-carbaldehyde

6-bromo-9-oxofluorene-2-carbaldehyde (PubChem CID 15661410) has the molecular formula C14H7BrO2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 6-bromo-9-oxofluorene-2-carbaldehyde.

Molecular Properties

Compound Name6-bromo-9-oxofluorene-2-carbaldehyde
PubChem CID15661410
Molecular FormulaC14H7BrO2
Molecular Weight287.11 g/mol
Exact Mass285.96
IUPAC Name6-bromo-9-oxofluorene-2-carbaldehyde
SMILESO=Cc1ccc2c(c1)C(=O)c1ccc(Br)cc1-2
InChIInChI=1S/C14H7BrO2/c15-9-2-4-11-12(6-9)10-3-1-8(7-16)5-13(10)14(11)17/h1-7H
InChIKeyOSBKBSFKSGDDED-UHFFFAOYSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-9-oxofluorene-2-carbaldehyde?
The IUPAC name of 6-bromo-9-oxofluorene-2-carbaldehyde (CID 15661410) is 6-bromo-9-oxofluorene-2-carbaldehyde.
What is the SMILES notation for 6-bromo-9-oxofluorene-2-carbaldehyde?
The canonical SMILES for 6-bromo-9-oxofluorene-2-carbaldehyde is O=Cc1ccc2c(c1)C(=O)c1ccc(Br)cc1-2.
What is the InChIKey of 6-bromo-9-oxofluorene-2-carbaldehyde?
The InChIKey is OSBKBSFKSGDDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrO2/c15-9-2-4-11-12(6-9)10-3-1-8(7-16)5-13(10)14(11)17/h1-7H.
What are the key properties of 6-bromo-9-oxofluorene-2-carbaldehyde?
6-bromo-9-oxofluorene-2-carbaldehyde has a molecular weight of 287.11 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-oxofluorene-2-carbaldehyde is sourced from PubChem (CID 15661410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).