6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine

C13H11N3O — CID 140681174

IUPAC6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine
SMILESCc1c(-c2ccccc2)nc2onnc2c1C
InChIInChI=1S/C13H11N3O/c1-8-9(2)12-13(17-16-15-12)14-11(8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyLLZAJEJFHXSYAE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.90
Rot. Bonds1

About 6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine

6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine (PubChem CID 140681174) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine
PubChem CID140681174
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine
SMILESCc1c(-c2ccccc2)nc2onnc2c1C
InChIInChI=1S/C13H11N3O/c1-8-9(2)12-13(17-16-15-12)14-11(8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyLLZAJEJFHXSYAE-UHFFFAOYSA-N
XLogP2.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine?
The IUPAC name of 6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine (CID 140681174) is 6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine.
What is the SMILES notation for 6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine?
The canonical SMILES for 6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine is Cc1c(-c2ccccc2)nc2onnc2c1C.
What is the InChIKey of 6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine?
The InChIKey is LLZAJEJFHXSYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-9(2)12-13(17-16-15-12)14-11(8)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine?
6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine has a molecular weight of 225.25 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5-phenyloxadiazolo[5,4-b]pyridine is sourced from PubChem (CID 140681174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).