6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine

C13H13ClFN3O — CID 165117145

IUPAC6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine
SMILESFc1nc(Cl)ccc1-c1cnn(C2CCCCO2)c1
InChIInChI=1S/C13H13ClFN3O/c14-11-5-4-10(13(15)17-11)9-7-16-18(8-9)12-3-1-2-6-19-12/h4-5,7-8,12H,1-3,6H2
InChIKeyBSTLGKWGNDOIAZ-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.44
Rot. Bonds2

About 6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine

6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine (PubChem CID 165117145) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine
PubChem CID165117145
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine
SMILESFc1nc(Cl)ccc1-c1cnn(C2CCCCO2)c1
InChIInChI=1S/C13H13ClFN3O/c14-11-5-4-10(13(15)17-11)9-7-16-18(8-9)12-3-1-2-6-19-12/h4-5,7-8,12H,1-3,6H2
InChIKeyBSTLGKWGNDOIAZ-UHFFFAOYSA-N
XLogP3.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The IUPAC name of 6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine (CID 165117145) is 6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The canonical SMILES for 6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine is Fc1nc(Cl)ccc1-c1cnn(C2CCCCO2)c1.
What is the InChIKey of 6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The InChIKey is BSTLGKWGNDOIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c14-11-5-4-10(13(15)17-11)9-7-16-18(8-9)12-3-1-2-6-19-12/h4-5,7-8,12H,1-3,6H2.
What are the key properties of 6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine?
6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine has a molecular weight of 281.72 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 165117145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).