2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine

C16H9ClFN3 — CID 130223619

IUPAC2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine
SMILESFc1ccc(-n2cc(C#Cc3ccnc(Cl)c3)cn2)cc1
InChIInChI=1S/C16H9ClFN3/c17-16-9-12(7-8-19-16)1-2-13-10-20-21(11-13)15-5-3-14(18)4-6-15/h3-11H
InChIKeyUMYIBRASSYAGJJ-UHFFFAOYSA-N
MW297.72 g/mol
LogP3.46
Rot. Bonds1

About 2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine

2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine (PubChem CID 130223619) has the molecular formula C16H9ClFN3 and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine
PubChem CID130223619
Molecular FormulaC16H9ClFN3
Molecular Weight297.72 g/mol
Exact Mass297.05
IUPAC Name2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine
SMILESFc1ccc(-n2cc(C#Cc3ccnc(Cl)c3)cn2)cc1
InChIInChI=1S/C16H9ClFN3/c17-16-9-12(7-8-19-16)1-2-13-10-20-21(11-13)15-5-3-14(18)4-6-15/h3-11H
InChIKeyUMYIBRASSYAGJJ-UHFFFAOYSA-N
XLogP3.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine?
The IUPAC name of 2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine (CID 130223619) is 2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine.
What is the SMILES notation for 2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine?
The canonical SMILES for 2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine is Fc1ccc(-n2cc(C#Cc3ccnc(Cl)c3)cn2)cc1.
What is the InChIKey of 2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine?
The InChIKey is UMYIBRASSYAGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3/c17-16-9-12(7-8-19-16)1-2-13-10-20-21(11-13)15-5-3-14(18)4-6-15/h3-11H.
What are the key properties of 2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine?
2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine has a molecular weight of 297.72 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[1-(4-fluorophenyl)pyrazol-4-yl]ethynyl]pyridine is sourced from PubChem (CID 130223619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).