2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine

C16H14FN3O — CID 162150521

IUPAC2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine
SMILESCc1cc(-c2cccc(Oc3ccc(F)cc3C)n2)n[nH]1
InChIInChI=1S/C16H14FN3O/c1-10-8-12(17)6-7-15(10)21-16-5-3-4-13(18-16)14-9-11(2)19-20-14/h3-9H,1-2H3,(H,19,20)
InChIKeyNQGIATJGITWZMN-UHFFFAOYSA-N
MW283.31 g/mol
LogP4.02
Rot. Bonds3

About 2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine

2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine (PubChem CID 162150521) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine
PubChem CID162150521
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine
SMILESCc1cc(-c2cccc(Oc3ccc(F)cc3C)n2)n[nH]1
InChIInChI=1S/C16H14FN3O/c1-10-8-12(17)6-7-15(10)21-16-5-3-4-13(18-16)14-9-11(2)19-20-14/h3-9H,1-2H3,(H,19,20)
InChIKeyNQGIATJGITWZMN-UHFFFAOYSA-N
XLogP4.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine (CID 162150521) is 2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine is Cc1cc(-c2cccc(Oc3ccc(F)cc3C)n2)n[nH]1.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine?
The InChIKey is NQGIATJGITWZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-8-12(17)6-7-15(10)21-16-5-3-4-13(18-16)14-9-11(2)19-20-14/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine?
2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine has a molecular weight of 283.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenoxy)-6-(5-methyl-1H-pyrazol-3-yl)pyridine is sourced from PubChem (CID 162150521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).