2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine

C15H12FN3O — CID 15956844

IUPAC2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine
SMILESCOc1ccc(-c2ccn(-c3ccccn3)n2)c(F)c1
InChIInChI=1S/C15H12FN3O/c1-20-11-5-6-12(13(16)10-11)14-7-9-19(18-14)15-4-2-3-8-17-15/h2-10H,1H3
InChIKeyNNIDUDQDGYCNNK-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.08
Rot. Bonds3

About 2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine

2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine (PubChem CID 15956844) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine
PubChem CID15956844
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine
SMILESCOc1ccc(-c2ccn(-c3ccccn3)n2)c(F)c1
InChIInChI=1S/C15H12FN3O/c1-20-11-5-6-12(13(16)10-11)14-7-9-19(18-14)15-4-2-3-8-17-15/h2-10H,1H3
InChIKeyNNIDUDQDGYCNNK-UHFFFAOYSA-N
XLogP3.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine?
The IUPAC name of 2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine (CID 15956844) is 2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine is COc1ccc(-c2ccn(-c3ccccn3)n2)c(F)c1.
What is the InChIKey of 2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine?
The InChIKey is NNIDUDQDGYCNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-20-11-5-6-12(13(16)10-11)14-7-9-19(18-14)15-4-2-3-8-17-15/h2-10H,1H3.
What are the key properties of 2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine?
2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine has a molecular weight of 269.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 15956844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).