3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile

C14H6F2N4O — CID 71460569

IUPAC3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile
SMILES[3H]c1c(F)cc(-c2nc(-c3ccc(F)cn3)no2)cc1C#N
InChIInChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H/i4T
InChIKeyRBSPCALDSNXWEP-IBTRZKOZSA-N
MW286.23 g/mol
LogP2.95
Rot. Bonds2

About 3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile

3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile (PubChem CID 71460569) has the molecular formula C14H6F2N4O and a molecular weight of 286.23 g/mol. Its IUPAC name is 3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile
PubChem CID71460569
Molecular FormulaC14H6F2N4O
Molecular Weight286.23 g/mol
Exact Mass286.06
IUPAC Name3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile
SMILES[3H]c1c(F)cc(-c2nc(-c3ccc(F)cn3)no2)cc1C#N
InChIInChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H/i4T
InChIKeyRBSPCALDSNXWEP-IBTRZKOZSA-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 ≤ 500286.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile?
The IUPAC name of 3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile (CID 71460569) is 3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile.
What is the SMILES notation for 3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile?
The canonical SMILES for 3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile is [3H]c1c(F)cc(-c2nc(-c3ccc(F)cn3)no2)cc1C#N.
What is the InChIKey of 3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile?
The InChIKey is RBSPCALDSNXWEP-IBTRZKOZSA-N. The full InChI is InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H/i4T.
What are the key properties of 3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile?
3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile has a molecular weight of 286.23 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 3-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-tritiobenzonitrile is sourced from PubChem (CID 71460569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).