4-fluoro-2-hydrazinyl-5-methylbenzaldehyde

C8H9FN2O — CID 154560984

IUPAC4-fluoro-2-hydrazinyl-5-methylbenzaldehyde
SMILESCc1cc(C=O)c(NN)cc1F
InChIInChI=1S/C8H9FN2O/c1-5-2-6(4-12)8(11-10)3-7(5)9/h2-4,11H,10H2,1H3
InChIKeyCWXYAAPFPRHTQR-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.23
Rot. Bonds2

About 4-fluoro-2-hydrazinyl-5-methylbenzaldehyde

4-fluoro-2-hydrazinyl-5-methylbenzaldehyde (PubChem CID 154560984) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 4-fluoro-2-hydrazinyl-5-methylbenzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-hydrazinyl-5-methylbenzaldehyde
PubChem CID154560984
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name4-fluoro-2-hydrazinyl-5-methylbenzaldehyde
SMILESCc1cc(C=O)c(NN)cc1F
InChIInChI=1S/C8H9FN2O/c1-5-2-6(4-12)8(11-10)3-7(5)9/h2-4,11H,10H2,1H3
InChIKeyCWXYAAPFPRHTQR-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-hydrazinyl-5-methylbenzaldehyde 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-fluoro-2-hydrazinyl-5-methylbenzaldehyde?
The IUPAC name of 4-fluoro-2-hydrazinyl-5-methylbenzaldehyde (CID 154560984) is 4-fluoro-2-hydrazinyl-5-methylbenzaldehyde.
What is the SMILES notation for 4-fluoro-2-hydrazinyl-5-methylbenzaldehyde?
The canonical SMILES for 4-fluoro-2-hydrazinyl-5-methylbenzaldehyde is Cc1cc(C=O)c(NN)cc1F.
What is the InChIKey of 4-fluoro-2-hydrazinyl-5-methylbenzaldehyde?
The InChIKey is CWXYAAPFPRHTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-5-2-6(4-12)8(11-10)3-7(5)9/h2-4,11H,10H2,1H3.
What are the key properties of 4-fluoro-2-hydrazinyl-5-methylbenzaldehyde?
4-fluoro-2-hydrazinyl-5-methylbenzaldehyde has a molecular weight of 168.17 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydrazinyl-5-methylbenzaldehyde is sourced from PubChem (CID 154560984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).