5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine

C15H11F3N2O2 — CID 134542569

IUPAC5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccn2nccc2c1
InChIInChI=1S/C15H11F3N2O2/c1-21-14-9-12(22-15(16,17)18)2-3-13(14)10-5-7-20-11(8-10)4-6-19-20/h2-9H,1H3
InChIKeyGMCRKVSGOROVBB-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.91
Rot. Bonds3

About 5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine

5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine (PubChem CID 134542569) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
PubChem CID134542569
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccn2nccc2c1
InChIInChI=1S/C15H11F3N2O2/c1-21-14-9-12(22-15(16,17)18)2-3-13(14)10-5-7-20-11(8-10)4-6-19-20/h2-9H,1H3
InChIKeyGMCRKVSGOROVBB-UHFFFAOYSA-N
XLogP3.91
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine (CID 134542569) is 5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine is COc1cc(OC(F)(F)F)ccc1-c1ccn2nccc2c1.
What is the InChIKey of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine?
The InChIKey is GMCRKVSGOROVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-21-14-9-12(22-15(16,17)18)2-3-13(14)10-5-7-20-11(8-10)4-6-19-20/h2-9H,1H3.
What are the key properties of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine?
5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine has a molecular weight of 308.26 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134542569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).