4-fluoro-3-nitrobenzaldehyde

C7H4FNO3 — CID 598129

IUPAC4-fluoro-3-nitrobenzaldehyde
SMILESO=Cc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
InChIKeyILKWFRCNNILIJW-UHFFFAOYSA-N
MW169.11 g/mol
LogP1.55
Rot. Bonds2

About 4-fluoro-3-nitrobenzaldehyde

4-fluoro-3-nitrobenzaldehyde (PubChem CID 598129) has the molecular formula C7H4FNO3 and a molecular weight of 169.11 g/mol. Its IUPAC name is 4-fluoro-3-nitrobenzaldehyde.

Molecular Properties

Compound Name4-fluoro-3-nitrobenzaldehyde
PubChem CID598129
Molecular FormulaC7H4FNO3
Molecular Weight169.11 g/mol
Exact Mass169.02
IUPAC Name4-fluoro-3-nitrobenzaldehyde
SMILESO=Cc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
InChIKeyILKWFRCNNILIJW-UHFFFAOYSA-N
XLogP1.55
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.11
LogP ≤ 51.55
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-nitrobenzaldehyde?
The IUPAC name of 4-fluoro-3-nitrobenzaldehyde (CID 598129) is 4-fluoro-3-nitrobenzaldehyde.
What is the SMILES notation for 4-fluoro-3-nitrobenzaldehyde?
The canonical SMILES for 4-fluoro-3-nitrobenzaldehyde is O=Cc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-3-nitrobenzaldehyde?
The InChIKey is ILKWFRCNNILIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H.
What are the key properties of 4-fluoro-3-nitrobenzaldehyde?
4-fluoro-3-nitrobenzaldehyde has a molecular weight of 169.11 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-nitrobenzaldehyde is sourced from PubChem (CID 598129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).