2-bromo-6-fluorobenzaldehyde

C7H4BrFO — CID 22473977

IUPAC2-bromo-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1Br
InChIInChI=1S/C7H4BrFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKeyPJNILWKRAKKEQM-UHFFFAOYSA-N
MW203.01 g/mol
LogP2.40
Rot. Bonds1

About 2-bromo-6-fluorobenzaldehyde

2-bromo-6-fluorobenzaldehyde (PubChem CID 22473977) has the molecular formula C7H4BrFO and a molecular weight of 203.01 g/mol. Its IUPAC name is 2-bromo-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-bromo-6-fluorobenzaldehyde
PubChem CID22473977
Molecular FormulaC7H4BrFO
Molecular Weight203.01 g/mol
Exact Mass201.94
IUPAC Name2-bromo-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1Br
InChIInChI=1S/C7H4BrFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKeyPJNILWKRAKKEQM-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.01
LogP ≤ 52.40
H-Bond Donors ≤ 50
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 2-bromo-6-fluorobenzaldehyde?
The IUPAC name of 2-bromo-6-fluorobenzaldehyde (CID 22473977) is 2-bromo-6-fluorobenzaldehyde.
What is the SMILES notation for 2-bromo-6-fluorobenzaldehyde?
The canonical SMILES for 2-bromo-6-fluorobenzaldehyde is O=Cc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluorobenzaldehyde?
The InChIKey is PJNILWKRAKKEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H.
What are the key properties of 2-bromo-6-fluorobenzaldehyde?
2-bromo-6-fluorobenzaldehyde has a molecular weight of 203.01 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluorobenzaldehyde is sourced from PubChem (CID 22473977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).