4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine

C17H9F2N3O — CID 132537697

IUPAC4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1cnc(-c2ccccc2F)c2nonc12
InChIInChI=1S/C17H9F2N3O/c18-13-7-3-1-5-10(13)12-9-20-15(17-16(12)21-23-22-17)11-6-2-4-8-14(11)19/h1-9H
InChIKeyLYMUKAMSKDGJOH-UHFFFAOYSA-N
MW309.28 g/mol
LogP4.23
Rot. Bonds2

About 4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine

4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine (PubChem CID 132537697) has the molecular formula C17H9F2N3O and a molecular weight of 309.28 g/mol. Its IUPAC name is 4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine
PubChem CID132537697
Molecular FormulaC17H9F2N3O
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine
SMILESFc1ccccc1-c1cnc(-c2ccccc2F)c2nonc12
InChIInChI=1S/C17H9F2N3O/c18-13-7-3-1-5-10(13)12-9-20-15(17-16(12)21-23-22-17)11-6-2-4-8-14(11)19/h1-9H
InChIKeyLYMUKAMSKDGJOH-UHFFFAOYSA-N
XLogP4.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine?
The IUPAC name of 4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine (CID 132537697) is 4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine.
What is the SMILES notation for 4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine?
The canonical SMILES for 4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine is Fc1ccccc1-c1cnc(-c2ccccc2F)c2nonc12.
What is the InChIKey of 4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine?
The InChIKey is LYMUKAMSKDGJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3O/c18-13-7-3-1-5-10(13)12-9-20-15(17-16(12)21-23-22-17)11-6-2-4-8-14(11)19/h1-9H.
What are the key properties of 4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine?
4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine has a molecular weight of 309.28 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine is sourced from PubChem (CID 132537697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).