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

C11H7F3N4O — CID 11437094

IUPAC6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(C#N)n1
InChIInChI=1S/C11H7F3N4O/c1-18-10(5-8(17-18)11(12,13)14)19-9-4-2-3-7(6-15)16-9/h2-5H,1H3
InChIKeyLWWJQIDLAPJUDX-UHFFFAOYSA-N
MW268.20 g/mol
LogP2.50
Rot. Bonds2

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

6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile (PubChem CID 11437094) has the molecular formula C11H7F3N4O and a molecular weight of 268.20 g/mol. Its IUPAC name is 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile
PubChem CID11437094
Molecular FormulaC11H7F3N4O
Molecular Weight268.20 g/mol
Exact Mass268.06
IUPAC Name6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(C#N)n1
InChIInChI=1S/C11H7F3N4O/c1-18-10(5-8(17-18)11(12,13)14)19-9-4-2-3-7(6-15)16-9/h2-5H,1H3
InChIKeyLWWJQIDLAPJUDX-UHFFFAOYSA-N
XLogP2.50
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 10135028
2-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine-4-carbonitrile
CID 10180130
2-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 10271739
2-(1-Methyl-3-trifluoromethylpyrazol-5-yloxy)-6-(aminomethyl)-pyridine
CID 11149948
2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile
CID 11732374
2-Chloro-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine-4-carbonitrile
CID 11822811
2-(1-Methyl-3-trifluoromethylpyrazol-5-yloxy)-6-(methylaminomethyl)-pyridine
CID 12009735
N,2-dimethyl-N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]propanamide
CID 12009736
4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[(E)-4,4,4-trifluorobut-1-enoxy]pyridine
CID 12010268
4-Methyl-2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine
CID 12010270
2-(1-Methyl-3-trifluoromethylpyrazol-5-yloxy)-6-(formylaminomethyl)-pyridine
CID 12010723
4-Methyl-6-phenylethynyl-2-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)pyridine
CID 12137491

Frequently Asked Questions

What is the IUPAC name of 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile (CID 11437094) is 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile is Cn1nc(C(F)(F)F)cc1Oc1cccc(C#N)n1.
What is the InChIKey of 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile?
The InChIKey is LWWJQIDLAPJUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4O/c1-18-10(5-8(17-18)11(12,13)14)19-9-4-2-3-7(6-15)16-9/h2-5H,1H3.
What are the key properties of 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile?
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile has a molecular weight of 268.20 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 11437094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).