2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine

C15H11ClFN3 — CID 18676089

IUPAC2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine
SMILESCc1cc(-c2ccnc(Cl)c2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C15H11ClFN3/c1-10-7-14(11-5-6-18-15(16)8-11)20(19-10)13-4-2-3-12(17)9-13/h2-9H,1H3
InChIKeyLGHOCEQJEIZFPZ-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.04
Rot. Bonds2

About 2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine

2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine (PubChem CID 18676089) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine
PubChem CID18676089
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine
SMILESCc1cc(-c2ccnc(Cl)c2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C15H11ClFN3/c1-10-7-14(11-5-6-18-15(16)8-11)20(19-10)13-4-2-3-12(17)9-13/h2-9H,1H3
InChIKeyLGHOCEQJEIZFPZ-UHFFFAOYSA-N
XLogP4.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine?
The IUPAC name of 2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine (CID 18676089) is 2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine?
The canonical SMILES for 2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine is Cc1cc(-c2ccnc(Cl)c2)n(-c2cccc(F)c2)n1.
What is the InChIKey of 2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine?
The InChIKey is LGHOCEQJEIZFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c1-10-7-14(11-5-6-18-15(16)8-11)20(19-10)13-4-2-3-12(17)9-13/h2-9H,1H3.
What are the key properties of 2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine?
2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine has a molecular weight of 287.73 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]pyridine is sourced from PubChem (CID 18676089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).