3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine

C14H12F4N2O — CID 146552625

IUPAC3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine
SMILESCc1cc(Cc2cccnc2OC(F)(F)F)c(F)c(C)n1
InChIInChI=1S/C14H12F4N2O/c1-8-6-11(12(15)9(2)20-8)7-10-4-3-5-19-13(10)21-14(16,17)18/h3-6H,7H2,1-2H3
InChIKeyLNODPIRUEOZOQO-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.72
Rot. Bonds3

About 3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine

3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine (PubChem CID 146552625) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is 3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine.

Molecular Properties

Compound Name3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine
PubChem CID146552625
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine
SMILESCc1cc(Cc2cccnc2OC(F)(F)F)c(F)c(C)n1
InChIInChI=1S/C14H12F4N2O/c1-8-6-11(12(15)9(2)20-8)7-10-4-3-5-19-13(10)21-14(16,17)18/h3-6H,7H2,1-2H3
InChIKeyLNODPIRUEOZOQO-UHFFFAOYSA-N
XLogP3.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine?
The IUPAC name of 3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine (CID 146552625) is 3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine.
What is the SMILES notation for 3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine?
The canonical SMILES for 3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine is Cc1cc(Cc2cccnc2OC(F)(F)F)c(F)c(C)n1.
What is the InChIKey of 3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine?
The InChIKey is LNODPIRUEOZOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c1-8-6-11(12(15)9(2)20-8)7-10-4-3-5-19-13(10)21-14(16,17)18/h3-6H,7H2,1-2H3.
What are the key properties of 3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine?
3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine has a molecular weight of 300.26 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,6-dimethyl-4-[[2-(trifluoromethoxy)-3-pyridinyl]methyl]pyridine is sourced from PubChem (CID 146552625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).