2-amino-4-bromo-5-fluorobenzaldehyde

C7H5BrFNO — CID 86726862

IUPAC2-amino-4-bromo-5-fluorobenzaldehyde
SMILESNc1cc(Br)c(F)cc1C=O
InChIInChI=1S/C7H5BrFNO/c8-5-2-7(10)4(3-11)1-6(5)9/h1-3H,10H2
InChIKeyFSGSJAXEUBLJLS-UHFFFAOYSA-N
MW218.02 g/mol
LogP1.98
Rot. Bonds1

About 2-amino-4-bromo-5-fluorobenzaldehyde

2-amino-4-bromo-5-fluorobenzaldehyde (PubChem CID 86726862) has the molecular formula C7H5BrFNO and a molecular weight of 218.02 g/mol. Its IUPAC name is 2-amino-4-bromo-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-amino-4-bromo-5-fluorobenzaldehyde
PubChem CID86726862
Molecular FormulaC7H5BrFNO
Molecular Weight218.02 g/mol
Exact Mass216.95
IUPAC Name2-amino-4-bromo-5-fluorobenzaldehyde
SMILESNc1cc(Br)c(F)cc1C=O
InChIInChI=1S/C7H5BrFNO/c8-5-2-7(10)4(3-11)1-6(5)9/h1-3H,10H2
InChIKeyFSGSJAXEUBLJLS-UHFFFAOYSA-N
XLogP1.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-5-fluorobenzaldehyde?
The IUPAC name of 2-amino-4-bromo-5-fluorobenzaldehyde (CID 86726862) is 2-amino-4-bromo-5-fluorobenzaldehyde.
What is the SMILES notation for 2-amino-4-bromo-5-fluorobenzaldehyde?
The canonical SMILES for 2-amino-4-bromo-5-fluorobenzaldehyde is Nc1cc(Br)c(F)cc1C=O.
What is the InChIKey of 2-amino-4-bromo-5-fluorobenzaldehyde?
The InChIKey is FSGSJAXEUBLJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO/c8-5-2-7(10)4(3-11)1-6(5)9/h1-3H,10H2.
What are the key properties of 2-amino-4-bromo-5-fluorobenzaldehyde?
2-amino-4-bromo-5-fluorobenzaldehyde has a molecular weight of 218.02 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-5-fluorobenzaldehyde is sourced from PubChem (CID 86726862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).