2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile

C13H6FN5O — CID 106526414

IUPAC2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESN#Cc1c(F)cccc1-c1nc(-c2ccncn2)no1
InChIInChI=1S/C13H6FN5O/c14-10-3-1-2-8(9(10)6-15)13-18-12(19-20-13)11-4-5-16-7-17-11/h1-5,7H
InChIKeyGXSAUYAFRSSPMK-UHFFFAOYSA-N
MW267.22 g/mol
LogP2.20
Rot. Bonds2

About 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile

2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile (PubChem CID 106526414) has the molecular formula C13H6FN5O and a molecular weight of 267.22 g/mol. Its IUPAC name is 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile
PubChem CID106526414
Molecular FormulaC13H6FN5O
Molecular Weight267.22 g/mol
Exact Mass267.06
IUPAC Name2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESN#Cc1c(F)cccc1-c1nc(-c2ccncn2)no1
InChIInChI=1S/C13H6FN5O/c14-10-3-1-2-8(9(10)6-15)13-18-12(19-20-13)11-4-5-16-7-17-11/h1-5,7H
InChIKeyGXSAUYAFRSSPMK-UHFFFAOYSA-N
XLogP2.20
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 115528928
2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile
CID 106526421
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136770934
2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137012864
2-fluoro-6-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 106527582
2-fluoro-6-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106525614
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-6-fluorobenzonitrile
CID 106523607
2-fluoro-6-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527989
2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile
CID 54598273
2-fluoro-6-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527271
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 107706890
2-fluoro-6-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106524590

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The IUPAC name of 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile (CID 106526414) is 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The canonical SMILES for 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile is N#Cc1c(F)cccc1-c1nc(-c2ccncn2)no1.
What is the InChIKey of 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The InChIKey is GXSAUYAFRSSPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6FN5O/c14-10-3-1-2-8(9(10)6-15)13-18-12(19-20-13)11-4-5-16-7-17-11/h1-5,7H.
What are the key properties of 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile has a molecular weight of 267.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile is sourced from PubChem (CID 106526414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).