5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol

C13H14FN3O2 — CID 155790757

IUPAC5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol
SMILESOc1cnc(-c2ccnn2C2CCCCO2)c(F)c1
InChIInChI=1S/C13H14FN3O2/c14-10-7-9(18)8-15-13(10)11-4-5-16-17(11)12-3-1-2-6-19-12/h4-5,7-8,12,18H,1-3,6H2
InChIKeyIOAOBKPTNVNDNR-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.49
Rot. Bonds2

About 5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol

5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol (PubChem CID 155790757) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol
PubChem CID155790757
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol
SMILESOc1cnc(-c2ccnn2C2CCCCO2)c(F)c1
InChIInChI=1S/C13H14FN3O2/c14-10-7-9(18)8-15-13(10)11-4-5-16-17(11)12-3-1-2-6-19-12/h4-5,7-8,12,18H,1-3,6H2
InChIKeyIOAOBKPTNVNDNR-UHFFFAOYSA-N
XLogP2.49
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol?
The IUPAC name of 5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol (CID 155790757) is 5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol.
What is the SMILES notation for 5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol?
The canonical SMILES for 5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol is Oc1cnc(-c2ccnn2C2CCCCO2)c(F)c1.
What is the InChIKey of 5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol?
The InChIKey is IOAOBKPTNVNDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-10-7-9(18)8-15-13(10)11-4-5-16-17(11)12-3-1-2-6-19-12/h4-5,7-8,12,18H,1-3,6H2.
What are the key properties of 5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol?
5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol has a molecular weight of 263.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[2-(oxan-2-yl)pyrazol-3-yl]pyridin-3-ol is sourced from PubChem (CID 155790757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).