4-bromo-2-fluoro-5-nitrobenzaldehyde

C7H3BrFNO3 — CID 18455595

IUPAC4-bromo-2-fluoro-5-nitrobenzaldehyde
SMILESO=Cc1cc([N+](=O)[O-])c(Br)cc1F
InChIInChI=1S/C7H3BrFNO3/c8-5-2-6(9)4(3-11)1-7(5)10(12)13/h1-3H
InChIKeyZAROJBMUUUKZBH-UHFFFAOYSA-N
MW248.01 g/mol
LogP2.31
Rot. Bonds2

About 4-bromo-2-fluoro-5-nitrobenzaldehyde

4-bromo-2-fluoro-5-nitrobenzaldehyde (PubChem CID 18455595) has the molecular formula C7H3BrFNO3 and a molecular weight of 248.01 g/mol. Its IUPAC name is 4-bromo-2-fluoro-5-nitrobenzaldehyde.

Molecular Properties

Compound Name4-bromo-2-fluoro-5-nitrobenzaldehyde
PubChem CID18455595
Molecular FormulaC7H3BrFNO3
Molecular Weight248.01 g/mol
Exact Mass246.93
IUPAC Name4-bromo-2-fluoro-5-nitrobenzaldehyde
SMILESO=Cc1cc([N+](=O)[O-])c(Br)cc1F
InChIInChI=1S/C7H3BrFNO3/c8-5-2-6(9)4(3-11)1-7(5)10(12)13/h1-3H
InChIKeyZAROJBMUUUKZBH-UHFFFAOYSA-N
XLogP2.31
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.01
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-2-fluoro-5-nitrobenzaldehyde 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 4-bromo-2-fluoro-5-nitrobenzaldehyde?
The IUPAC name of 4-bromo-2-fluoro-5-nitrobenzaldehyde (CID 18455595) is 4-bromo-2-fluoro-5-nitrobenzaldehyde.
What is the SMILES notation for 4-bromo-2-fluoro-5-nitrobenzaldehyde?
The canonical SMILES for 4-bromo-2-fluoro-5-nitrobenzaldehyde is O=Cc1cc([N+](=O)[O-])c(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-5-nitrobenzaldehyde?
The InChIKey is ZAROJBMUUUKZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFNO3/c8-5-2-6(9)4(3-11)1-7(5)10(12)13/h1-3H.
What are the key properties of 4-bromo-2-fluoro-5-nitrobenzaldehyde?
4-bromo-2-fluoro-5-nitrobenzaldehyde has a molecular weight of 248.01 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-5-nitrobenzaldehyde is sourced from PubChem (CID 18455595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).