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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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).