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

C11H6ClF6N3O — CID 2767282

IUPAC3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H6ClF6N3O/c1-21-8(3-7(20-21)11(16,17)18)22-9-6(12)2-5(4-19-9)10(13,14)15/h2-4H,1H3
InChIKeyYAKOSLROQVWLFG-UHFFFAOYSA-N
MW345.63 g/mol
LogP4.30
Rot. Bonds2

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

3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 2767282) has the molecular formula C11H6ClF6N3O and a molecular weight of 345.63 g/mol. Its IUPAC name is 3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine
PubChem CID2767282
Molecular FormulaC11H6ClF6N3O
Molecular Weight345.63 g/mol
Exact Mass345.01
IUPAC Name3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H6ClF6N3O/c1-21-8(3-7(20-21)11(16,17)18)22-9-6(12)2-5(4-19-9)10(13,14)15/h2-4H,1H3
InChIKeyYAKOSLROQVWLFG-UHFFFAOYSA-N
XLogP4.30
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.63
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine (CID 2767282) is 3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine is Cn1nc(C(F)(F)F)cc1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine?
The InChIKey is YAKOSLROQVWLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF6N3O/c1-21-8(3-7(20-21)11(16,17)18)22-9-6(12)2-5(4-19-9)10(13,14)15/h2-4H,1H3.
What are the key properties of 3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine?
3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine has a molecular weight of 345.63 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2767282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).