5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine

C13H14FN3O — CID 67991724

IUPAC5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
SMILESFc1ccc(-c2ccnn2C2CCCCO2)nc1
InChIInChI=1S/C13H14FN3O/c14-10-4-5-11(15-9-10)12-6-7-16-17(12)13-3-1-2-8-18-13/h4-7,9,13H,1-3,8H2
InChIKeyFMRGIEJBUBBULT-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.78
Rot. Bonds2

About 5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine

5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine (PubChem CID 67991724) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
PubChem CID67991724
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
SMILESFc1ccc(-c2ccnn2C2CCCCO2)nc1
InChIInChI=1S/C13H14FN3O/c14-10-4-5-11(15-9-10)12-6-7-16-17(12)13-3-1-2-8-18-13/h4-7,9,13H,1-3,8H2
InChIKeyFMRGIEJBUBBULT-UHFFFAOYSA-N
XLogP2.78
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?
The IUPAC name of 5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine (CID 67991724) is 5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?
The canonical SMILES for 5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine is Fc1ccc(-c2ccnn2C2CCCCO2)nc1.
What is the InChIKey of 5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?
The InChIKey is FMRGIEJBUBBULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-4-5-11(15-9-10)12-6-7-16-17(12)13-3-1-2-8-18-13/h4-7,9,13H,1-3,8H2.
What are the key properties of 5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?
5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine has a molecular weight of 247.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 67991724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).