2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine

C14H9F2N3 — CID 42647299

IUPAC2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine
SMILESFc1ccc(-c2cn[nH]c2-c2ccnc(F)c2)cc1
InChIInChI=1S/C14H9F2N3/c15-11-3-1-9(2-4-11)12-8-18-19-14(12)10-5-6-17-13(16)7-10/h1-8H,(H,18,19)
InChIKeyYJCHZVXSPFPKMX-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.42
Rot. Bonds2

About 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine

2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine (PubChem CID 42647299) has the molecular formula C14H9F2N3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine
PubChem CID42647299
Molecular FormulaC14H9F2N3
Molecular Weight257.24 g/mol
Exact Mass257.08
IUPAC Name2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine
SMILESFc1ccc(-c2cn[nH]c2-c2ccnc(F)c2)cc1
InChIInChI=1S/C14H9F2N3/c15-11-3-1-9(2-4-11)12-8-18-19-14(12)10-5-6-17-13(16)7-10/h1-8H,(H,18,19)
InChIKeyYJCHZVXSPFPKMX-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.42
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 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine (CID 42647299) is 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine is Fc1ccc(-c2cn[nH]c2-c2ccnc(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine?
The InChIKey is YJCHZVXSPFPKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3/c15-11-3-1-9(2-4-11)12-8-18-19-14(12)10-5-6-17-13(16)7-10/h1-8H,(H,18,19).
What are the key properties of 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine?
2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine has a molecular weight of 257.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 42647299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).