3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde

C10H6BrFN2O — CID 106529443

IUPAC3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(-n2cc(Br)cn2)c1
InChIInChI=1S/C10H6BrFN2O/c11-8-4-13-14(5-8)10-2-7(6-15)1-9(12)3-10/h1-6H
InChIKeyYKWNBTMFJFPCEP-UHFFFAOYSA-N
MW269.07 g/mol
LogP2.59
Rot. Bonds2

About 3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde

3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde (PubChem CID 106529443) has the molecular formula C10H6BrFN2O and a molecular weight of 269.07 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde
PubChem CID106529443
Molecular FormulaC10H6BrFN2O
Molecular Weight269.07 g/mol
Exact Mass267.96
IUPAC Name3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(-n2cc(Br)cn2)c1
InChIInChI=1S/C10H6BrFN2O/c11-8-4-13-14(5-8)10-2-7(6-15)1-9(12)3-10/h1-6H
InChIKeyYKWNBTMFJFPCEP-UHFFFAOYSA-N
XLogP2.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde 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 3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde (CID 106529443) is 3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde is O=Cc1cc(F)cc(-n2cc(Br)cn2)c1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde?
The InChIKey is YKWNBTMFJFPCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O/c11-8-4-13-14(5-8)10-2-7(6-15)1-9(12)3-10/h1-6H.
What are the key properties of 3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde?
3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde has a molecular weight of 269.07 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde is sourced from PubChem (CID 106529443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).