5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine

C12H12F3N3O — CID 91338292

IUPAC5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
SMILESCCOc1ccc(-c2cc(C(F)(F)F)nn2C)nc1
InChIInChI=1S/C12H12F3N3O/c1-3-19-8-4-5-9(16-7-8)10-6-11(12(13,14)15)17-18(10)2/h4-7H,3H2,1-2H3
InChIKeyFBLSXOGEHHAAAB-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.90
Rot. Bonds3

About 5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine

5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine (PubChem CID 91338292) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
PubChem CID91338292
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
SMILESCCOc1ccc(-c2cc(C(F)(F)F)nn2C)nc1
InChIInChI=1S/C12H12F3N3O/c1-3-19-8-4-5-9(16-7-8)10-6-11(12(13,14)15)17-18(10)2/h4-7H,3H2,1-2H3
InChIKeyFBLSXOGEHHAAAB-UHFFFAOYSA-N
XLogP2.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
The IUPAC name of 5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine (CID 91338292) is 5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine.
What is the SMILES notation for 5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
The canonical SMILES for 5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine is CCOc1ccc(-c2cc(C(F)(F)F)nn2C)nc1.
What is the InChIKey of 5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
The InChIKey is FBLSXOGEHHAAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-3-19-8-4-5-9(16-7-8)10-6-11(12(13,14)15)17-18(10)2/h4-7H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine has a molecular weight of 271.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine is sourced from PubChem (CID 91338292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).