4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine

C14H9ClFN3 — CID 22037369

IUPAC4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine
SMILESFc1cc(-c2cn[nH]c2-c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C14H9ClFN3/c15-11-3-1-9(2-4-11)14-12(8-18-19-14)10-5-6-17-13(16)7-10/h1-8H,(H,18,19)
InChIKeyDAXWDTCURRLZGA-UHFFFAOYSA-N
MW273.70 g/mol
LogP3.93
Rot. Bonds2

About 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine

4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine (PubChem CID 22037369) has the molecular formula C14H9ClFN3 and a molecular weight of 273.70 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine
PubChem CID22037369
Molecular FormulaC14H9ClFN3
Molecular Weight273.70 g/mol
Exact Mass273.05
IUPAC Name4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine
SMILESFc1cc(-c2cn[nH]c2-c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C14H9ClFN3/c15-11-3-1-9(2-4-11)14-12(8-18-19-14)10-5-6-17-13(16)7-10/h1-8H,(H,18,19)
InChIKeyDAXWDTCURRLZGA-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine (CID 22037369) is 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine is Fc1cc(-c2cn[nH]c2-c2ccc(Cl)cc2)ccn1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine?
The InChIKey is DAXWDTCURRLZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3/c15-11-3-1-9(2-4-11)14-12(8-18-19-14)10-5-6-17-13(16)7-10/h1-8H,(H,18,19).
What are the key properties of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine?
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine has a molecular weight of 273.70 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-fluoropyridine is sourced from PubChem (CID 22037369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).