2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine

C15H11F6N5O — CID 10271739

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(-c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C15H11F6N5O/c1-25-9(6-10(23-25)14(16,17)18)8-4-3-5-12(22-8)27-13-7-11(15(19,20)21)24-26(13)2/h3-7H,1-2H3
InChIKeyIQPAOHPGCLXIAB-UHFFFAOYSA-N
MW391.28 g/mol
LogP4.05
Rot. Bonds3

About 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (PubChem CID 10271739) has the molecular formula C15H11F6N5O and a molecular weight of 391.28 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
PubChem CID10271739
Molecular FormulaC15H11F6N5O
Molecular Weight391.28 g/mol
Exact Mass391.09
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(-c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C15H11F6N5O/c1-25-9(6-10(23-25)14(16,17)18)8-4-3-5-12(22-8)27-13-7-11(15(19,20)21)24-26(13)2/h3-7H,1-2H3
InChIKeyIQPAOHPGCLXIAB-UHFFFAOYSA-N
XLogP4.05
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (CID 10271739) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is Cn1nc(C(F)(F)F)cc1Oc1cccc(-c2cc(C(F)(F)F)nn2C)n1.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The InChIKey is IQPAOHPGCLXIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N5O/c1-25-9(6-10(23-25)14(16,17)18)8-4-3-5-12(22-8)27-13-7-11(15(19,20)21)24-26(13)2/h3-7H,1-2H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine has a molecular weight of 391.28 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is sourced from PubChem (CID 10271739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).