4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol

C13H9FN4O2 — CID 136810076

IUPAC4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
SMILESNc1cnccc1-c1nc(-c2ccc(O)c(F)c2)no1
InChIInChI=1S/C13H9FN4O2/c14-9-5-7(1-2-11(9)19)12-17-13(20-18-12)8-3-4-16-6-10(8)15/h1-6,19H,15H2
InChIKeyDIZLLKLUVSOEEH-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.23
Rot. Bonds2

About 4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol

4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol (PubChem CID 136810076) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is 4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
PubChem CID136810076
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC Name4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
SMILESNc1cnccc1-c1nc(-c2ccc(O)c(F)c2)no1
InChIInChI=1S/C13H9FN4O2/c14-9-5-7(1-2-11(9)19)12-17-13(20-18-12)8-3-4-16-6-10(8)15/h1-6,19H,15H2
InChIKeyDIZLLKLUVSOEEH-UHFFFAOYSA-N
XLogP2.23
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136810050
4-[5-(4-amino-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810165
4-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136810239
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210
4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904405
4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136888723
4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136755763
4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 135741529
5-chloro-2-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63094638
2-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104827143
2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751247

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol?
The IUPAC name of 4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol (CID 136810076) is 4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol.
What is the SMILES notation for 4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol?
The canonical SMILES for 4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol is Nc1cnccc1-c1nc(-c2ccc(O)c(F)c2)no1.
What is the InChIKey of 4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol?
The InChIKey is DIZLLKLUVSOEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c14-9-5-7(1-2-11(9)19)12-17-13(20-18-12)8-3-4-16-6-10(8)15/h1-6,19H,15H2.
What are the key properties of 4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol?
4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol has a molecular weight of 272.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol is sourced from PubChem (CID 136810076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).