2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine

C11H10F3N3O — CID 86684888

IUPAC2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine
SMILESCn1nccc1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N3O/c1-17-9(4-5-16-17)7-18-10-3-2-8(6-15-10)11(12,13)14/h2-6H,7H2,1H3
InChIKeyHLVYCFJNZHMUGK-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.41
Rot. Bonds3

About 2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine

2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine (PubChem CID 86684888) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine
PubChem CID86684888
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine
SMILESCn1nccc1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N3O/c1-17-9(4-5-16-17)7-18-10-3-2-8(6-15-10)11(12,13)14/h2-6H,7H2,1H3
InChIKeyHLVYCFJNZHMUGK-UHFFFAOYSA-N
XLogP2.41
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine (CID 86684888) is 2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine is Cn1nccc1COc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is HLVYCFJNZHMUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-17-9(4-5-16-17)7-18-10-3-2-8(6-15-10)11(12,13)14/h2-6H,7H2,1H3.
What are the key properties of 2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine?
2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 257.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 86684888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).