2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole

C9H7F2N3O — CID 126507413

IUPAC2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C9H7F2N3O/c1-5-2-3-6(4-12-5)8-13-14-9(15-8)7(10)11/h2-4,7H,1H3
InChIKeyUTUWFSYPLJSNJY-UHFFFAOYSA-N
MW211.17 g/mol
LogP2.38
Rot. Bonds2

About 2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole

2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 126507413) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID126507413
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C9H7F2N3O/c1-5-2-3-6(4-12-5)8-13-14-9(15-8)7(10)11/h2-4,7H,1H3
InChIKeyUTUWFSYPLJSNJY-UHFFFAOYSA-N
XLogP2.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
Dimethyl-[4-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-phenyl]-amine
CID 865622
3-[5-(Prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 4920344
3-{5-[4-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}pyridine
CID 850835
1,3,4-Oxadiazole, 2-amino-5-(3-pyridyl)-
CID 21940
2,5-Bis(3-pyridyl)-1,3,4-oxadiazole
CID 98903
N-[[5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]benzamide
CID 145961199
ethyl (1E)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanimidate
CID 155547250
2-Cyclohexyl-5-[4-(trifluoromethyl)-3-pyridyl]-1,3,4-oxadiazole
CID 2726889
2-Methylsulfanyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazole
CID 2746577
2-Methyl-3-(5-(methylthio)-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine
CID 2795811
2-((Pyridin-2-ylmethyl)thio)-5-(pyridin-3-yl)-1,3,4-oxadiazole
CID 18586774

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole (CID 126507413) is 2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is UTUWFSYPLJSNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c1-5-2-3-6(4-12-5)8-13-14-9(15-8)7(10)11/h2-4,7H,1H3.
What are the key properties of 2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 211.17 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126507413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).