2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

C16H10FN3O2 — CID 155565046

IUPAC2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESOc1cccc(-c2nnc3ccc(-c4ccoc4)cn23)c1F
InChIInChI=1S/C16H10FN3O2/c17-15-12(2-1-3-13(15)21)16-19-18-14-5-4-10(8-20(14)16)11-6-7-22-9-11/h1-9,21H
InChIKeyXGIUOXOGLZFEQV-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.50
Rot. Bonds2

About 2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (PubChem CID 155565046) has the molecular formula C16H10FN3O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.

Molecular Properties

Compound Name2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
PubChem CID155565046
Molecular FormulaC16H10FN3O2
Molecular Weight295.27 g/mol
Exact Mass295.08
IUPAC Name2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESOc1cccc(-c2nnc3ccc(-c4ccoc4)cn23)c1F
InChIInChI=1S/C16H10FN3O2/c17-15-12(2-1-3-13(15)21)16-19-18-14-5-4-10(8-20(14)16)11-6-7-22-9-11/h1-9,21H
InChIKeyXGIUOXOGLZFEQV-UHFFFAOYSA-N
XLogP3.50
TPSA63.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The IUPAC name of 2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (CID 155565046) is 2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.
What is the SMILES notation for 2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The canonical SMILES for 2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is Oc1cccc(-c2nnc3ccc(-c4ccoc4)cn23)c1F.
What is the InChIKey of 2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The InChIKey is XGIUOXOGLZFEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2/c17-15-12(2-1-3-13(15)21)16-19-18-14-5-4-10(8-20(14)16)11-6-7-22-9-11/h1-9,21H.
What are the key properties of 2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol has a molecular weight of 295.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[6-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is sourced from PubChem (CID 155565046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).