2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile

C16H10F6N6O — CID 10180130

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile
SMILESCn1nc(C(F)(F)F)cc1Oc1cc(C#N)cc(-c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C16H10F6N6O/c1-27-10(5-11(25-27)15(17,18)19)9-3-8(7-23)4-13(24-9)29-14-6-12(16(20,21)22)26-28(14)2/h3-6H,1-2H3
InChIKeyOGZPXNHFIKYJHK-UHFFFAOYSA-N
MW416.29 g/mol
LogP3.92
Rot. Bonds3

About 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile (PubChem CID 10180130) has the molecular formula C16H10F6N6O and a molecular weight of 416.29 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile
PubChem CID10180130
Molecular FormulaC16H10F6N6O
Molecular Weight416.29 g/mol
Exact Mass416.08
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile
SMILESCn1nc(C(F)(F)F)cc1Oc1cc(C#N)cc(-c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C16H10F6N6O/c1-27-10(5-11(25-27)15(17,18)19)9-3-8(7-23)4-13(24-9)29-14-6-12(16(20,21)22)26-28(14)2/h3-6H,1-2H3
InChIKeyOGZPXNHFIKYJHK-UHFFFAOYSA-N
XLogP3.92
TPSA81.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-4-carbonitrile?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile (CID 10180130) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile is Cn1nc(C(F)(F)F)cc1Oc1cc(C#N)cc(-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-4-carbonitrile?
The InChIKey is OGZPXNHFIKYJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N6O/c1-27-10(5-11(25-27)15(17,18)19)9-3-8(7-23)4-13(24-9)29-14-6-12(16(20,21)22)26-28(14)2/h3-6H,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-4-carbonitrile?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile has a molecular weight of 416.29 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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-4-carbonitrile is sourced from PubChem (CID 10180130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).