1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate

C11H10FN3O3 — CID 155949460

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate
SMILESCc1nnc(C(C)OC(=O)c2cncc(F)c2)o1
InChIInChI=1S/C11H10FN3O3/c1-6(10-15-14-7(2)18-10)17-11(16)8-3-9(12)5-13-4-8/h3-6H,1-2H3
InChIKeyATKIEEACCUCELC-UHFFFAOYSA-N
MW251.22 g/mol
LogP1.83
Rot. Bonds3

About 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate

1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate (PubChem CID 155949460) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate
PubChem CID155949460
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate
SMILESCc1nnc(C(C)OC(=O)c2cncc(F)c2)o1
InChIInChI=1S/C11H10FN3O3/c1-6(10-15-14-7(2)18-10)17-11(16)8-3-9(12)5-13-4-8/h3-6H,1-2H3
InChIKeyATKIEEACCUCELC-UHFFFAOYSA-N
XLogP1.83
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate (CID 155949460) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate is Cc1nnc(C(C)OC(=O)c2cncc(F)c2)o1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate?
The InChIKey is ATKIEEACCUCELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-6(10-15-14-7(2)18-10)17-11(16)8-3-9(12)5-13-4-8/h3-6H,1-2H3.
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate?
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate has a molecular weight of 251.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 155949460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).