5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine

C14H9ClFN3 — CID 87626779

IUPAC5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine
SMILESFc1cccc(/C=C/c2n[nH]c3ccc(Cl)nc23)c1
InChIInChI=1S/C14H9ClFN3/c15-13-7-6-12-14(17-13)11(18-19-12)5-4-9-2-1-3-10(16)8-9/h1-8H,(H,18,19)/b5-4+
InChIKeyCBOYNGXLCQTGSS-SNAWJCMRSA-N
MW273.70 g/mol
LogP3.92
Rot. Bonds2

About 5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine

5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 87626779) has the molecular formula C14H9ClFN3 and a molecular weight of 273.70 g/mol. Its IUPAC name is 5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine
PubChem CID87626779
Molecular FormulaC14H9ClFN3
Molecular Weight273.70 g/mol
Exact Mass273.05
IUPAC Name5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine
SMILESFc1cccc(/C=C/c2n[nH]c3ccc(Cl)nc23)c1
InChIInChI=1S/C14H9ClFN3/c15-13-7-6-12-14(17-13)11(18-19-12)5-4-9-2-1-3-10(16)8-9/h1-8H,(H,18,19)/b5-4+
InChIKeyCBOYNGXLCQTGSS-SNAWJCMRSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine 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 5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine (CID 87626779) is 5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine is Fc1cccc(/C=C/c2n[nH]c3ccc(Cl)nc23)c1.
What is the InChIKey of 5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is CBOYNGXLCQTGSS-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H9ClFN3/c15-13-7-6-12-14(17-13)11(18-19-12)5-4-9-2-1-3-10(16)8-9/h1-8H,(H,18,19)/b5-4+.
What are the key properties of 5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine?
5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 273.70 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 87626779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).