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

C11H10F3N3O — CID 167265394

IUPAC3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCCOc1cccnc1-n1nccc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c1-2-18-8-4-3-6-15-10(8)17-9(5-7-16-17)11(12,13)14/h3-7H,2H2,1H3
InChIKeyIVGHRQKKIBAXTJ-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.68
Rot. Bonds3

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

3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 167265394) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID167265394
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCCOc1cccnc1-n1nccc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c1-2-18-8-4-3-6-15-10(8)17-9(5-7-16-17)11(12,13)14/h3-7H,2H2,1H3
InChIKeyIVGHRQKKIBAXTJ-UHFFFAOYSA-N
XLogP2.68
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 167265394) is 3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine is CCOc1cccnc1-n1nccc1C(F)(F)F.
What is the InChIKey of 3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is IVGHRQKKIBAXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-2-18-8-4-3-6-15-10(8)17-9(5-7-16-17)11(12,13)14/h3-7H,2H2,1H3.
What are the key properties of 3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine?
3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 257.21 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 167265394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).