2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine

C13H14F3N3O — CID 86798929

IUPAC2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine
SMILESCc1cc(OCc2cnn(C)c2C(F)(F)F)cc(C)n1
InChIInChI=1S/C13H14F3N3O/c1-8-4-11(5-9(2)18-8)20-7-10-6-17-19(3)12(10)13(14,15)16/h4-6H,7H2,1-3H3
InChIKeyLKQBXXNFICSDMO-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.03
Rot. Bonds3

About 2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine

2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine (PubChem CID 86798929) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine
PubChem CID86798929
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine
SMILESCc1cc(OCc2cnn(C)c2C(F)(F)F)cc(C)n1
InChIInChI=1S/C13H14F3N3O/c1-8-4-11(5-9(2)18-8)20-7-10-6-17-19(3)12(10)13(14,15)16/h4-6H,7H2,1-3H3
InChIKeyLKQBXXNFICSDMO-UHFFFAOYSA-N
XLogP3.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine?
The IUPAC name of 2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine (CID 86798929) is 2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine.
What is the SMILES notation for 2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine?
The canonical SMILES for 2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine is Cc1cc(OCc2cnn(C)c2C(F)(F)F)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine?
The InChIKey is LKQBXXNFICSDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8-4-11(5-9(2)18-8)20-7-10-6-17-19(3)12(10)13(14,15)16/h4-6H,7H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine?
2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine has a molecular weight of 285.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine is sourced from PubChem (CID 86798929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).