3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

C9H4F6N2O — CID 2348961

IUPAC3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(C(F)(F)F)cc(C(F)(F)F)c12
InChIInChI=1S/C9H4F6N2O/c1-3-6-4(8(10,11)12)2-5(9(13,14)15)16-7(6)18-17-3/h2H,1H3
InChIKeyWZLDAQBXEIOGCO-UHFFFAOYSA-N
MW270.13 g/mol
LogP3.57
Rot. Bonds

About 3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 2348961) has the molecular formula C9H4F6N2O and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID2348961
Molecular FormulaC9H4F6N2O
Molecular Weight270.13 g/mol
Exact Mass270.02
IUPAC Name3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(C(F)(F)F)cc(C(F)(F)F)c12
InChIInChI=1S/C9H4F6N2O/c1-3-6-4(8(10,11)12)2-5(9(13,14)15)16-7(6)18-17-3/h2H,1H3
InChIKeyWZLDAQBXEIOGCO-UHFFFAOYSA-N
XLogP3.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 2348961) is 3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is Cc1noc2nc(C(F)(F)F)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is WZLDAQBXEIOGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N2O/c1-3-6-4(8(10,11)12)2-5(9(13,14)15)16-7(6)18-17-3/h2H,1H3.
What are the key properties of 3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 270.13 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 2348961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).