3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine

C13H13ClF3N3O — CID 1486169

IUPAC3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine
SMILESCc1cc(C)n(CCOc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C13H13ClF3N3O/c1-8-5-9(2)20(19-8)3-4-21-12-11(14)6-10(7-18-12)13(15,16)17/h5-7H,3-4H2,1-2H3
InChIKeyZJQKVXSKUSXXFQ-UHFFFAOYSA-N
MW319.71 g/mol
LogP3.65
Rot. Bonds4

About 3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine

3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine (PubChem CID 1486169) has the molecular formula C13H13ClF3N3O and a molecular weight of 319.71 g/mol. Its IUPAC name is 3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine
PubChem CID1486169
Molecular FormulaC13H13ClF3N3O
Molecular Weight319.71 g/mol
Exact Mass319.07
IUPAC Name3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine
SMILESCc1cc(C)n(CCOc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C13H13ClF3N3O/c1-8-5-9(2)20(19-8)3-4-21-12-11(14)6-10(7-18-12)13(15,16)17/h5-7H,3-4H2,1-2H3
InChIKeyZJQKVXSKUSXXFQ-UHFFFAOYSA-N
XLogP3.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine (CID 1486169) is 3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine is Cc1cc(C)n(CCOc2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is ZJQKVXSKUSXXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O/c1-8-5-9(2)20(19-8)3-4-21-12-11(14)6-10(7-18-12)13(15,16)17/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine?
3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 319.71 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 1486169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).