4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine

C17H15ClFN3O2 — CID 138471368

IUPAC4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine
SMILESCn1nccc1-c1cc(OCCOc2ccc(Cl)cc2F)ccn1
InChIInChI=1S/C17H15ClFN3O2/c1-22-16(5-7-21-22)15-11-13(4-6-20-15)23-8-9-24-17-3-2-12(18)10-14(17)19/h2-7,10-11H,8-9H2,1H3
InChIKeyVKEMNQJEDDELDN-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.73
Rot. Bonds6

About 4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine

4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine (PubChem CID 138471368) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine
PubChem CID138471368
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine
SMILESCn1nccc1-c1cc(OCCOc2ccc(Cl)cc2F)ccn1
InChIInChI=1S/C17H15ClFN3O2/c1-22-16(5-7-21-22)15-11-13(4-6-20-15)23-8-9-24-17-3-2-12(18)10-14(17)19/h2-7,10-11H,8-9H2,1H3
InChIKeyVKEMNQJEDDELDN-UHFFFAOYSA-N
XLogP3.73
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine?
The IUPAC name of 4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine (CID 138471368) is 4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine.
What is the SMILES notation for 4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine?
The canonical SMILES for 4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine is Cn1nccc1-c1cc(OCCOc2ccc(Cl)cc2F)ccn1.
What is the InChIKey of 4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine?
The InChIKey is VKEMNQJEDDELDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-22-16(5-7-21-22)15-11-13(4-6-20-15)23-8-9-24-17-3-2-12(18)10-14(17)19/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine?
4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine has a molecular weight of 347.78 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-2-fluorophenoxy)ethoxy]-2-(2-methylpyrazol-3-yl)pyridine is sourced from PubChem (CID 138471368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).