4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile

C14H6F2N4O — CID 68714463

IUPAC4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nnc(-c3ccc(F)nc3F)o2)cc1
InChIInChI=1S/C14H6F2N4O/c15-11-6-5-10(12(16)18-11)14-20-19-13(21-14)9-3-1-8(7-17)2-4-9/h1-6H
InChIKeyZJRKJBLFQJVRAK-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.95
Rot. Bonds2

About 4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile

4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile (PubChem CID 68714463) has the molecular formula C14H6F2N4O and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile
PubChem CID68714463
Molecular FormulaC14H6F2N4O
Molecular Weight284.23 g/mol
Exact Mass284.05
IUPAC Name4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nnc(-c3ccc(F)nc3F)o2)cc1
InChIInChI=1S/C14H6F2N4O/c15-11-6-5-10(12(16)18-11)14-20-19-13(21-14)9-3-1-8(7-17)2-4-9/h1-6H
InChIKeyZJRKJBLFQJVRAK-UHFFFAOYSA-N
XLogP2.95
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
3-{5-[4-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}pyridine
CID 850835
2-Cyclohexyl-5-[4-(trifluoromethyl)-3-pyridyl]-1,3,4-oxadiazole
CID 2726889
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 740477
3-(5-Cyclohexyl-[1,3,4]oxadiazol-2-yl)-pyridine
CID 647706
2-Phenyl-5-[4-(trifluoromethyl)pyridin-3-yl]-1,3,4-oxadiazole
CID 2726882
6-(Trifluoromethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 134154158
3-[5-(3-Fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 850839
2-Methyl-5-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 139228901
4-[[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]methyl]benzonitrile
CID 38030471
2-[(3-Fluorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 53017565
2-Pyridin-3-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazole
CID 136530178

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile?
The IUPAC name of 4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile (CID 68714463) is 4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile?
The canonical SMILES for 4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile is N#Cc1ccc(-c2nnc(-c3ccc(F)nc3F)o2)cc1.
What is the InChIKey of 4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile?
The InChIKey is ZJRKJBLFQJVRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F2N4O/c15-11-6-5-10(12(16)18-11)14-20-19-13(21-14)9-3-1-8(7-17)2-4-9/h1-6H.
What are the key properties of 4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile?
4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile has a molecular weight of 284.23 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-difluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzonitrile is sourced from PubChem (CID 68714463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).