2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine

C12H14F3NO2 — CID 23380589

IUPAC2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCC2CCCO2)n1
InChIInChI=1S/C12H14F3NO2/c1-8-5-9(12(13,14)15)6-11(16-8)18-7-10-3-2-4-17-10/h5-6,10H,2-4,7H2,1H3
InChIKeyVMKFAFKKEJLGNC-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.97
Rot. Bonds3

About 2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine

2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 23380589) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine
PubChem CID23380589
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCC2CCCO2)n1
InChIInChI=1S/C12H14F3NO2/c1-8-5-9(12(13,14)15)6-11(16-8)18-7-10-3-2-4-17-10/h5-6,10H,2-4,7H2,1H3
InChIKeyVMKFAFKKEJLGNC-UHFFFAOYSA-N
XLogP2.97
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy}acetate
CID 2728462
2-Methyl-6-phenylmethoxypyridine
CID 261829
5-Ethyl-4,6-dimethyl-2-methoxy pyridine
CID 6430781
Pyridine, 2-ethoxy-6-methyl-
CID 4738465
2-(Prop-2-yn-1-yloxy)-6-(trifluoromethyl)pyridine
CID 53903078
6-(Difluoromethoxy)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 155970411
2-(2-Phenoxyethoxy)-6-(trifluoromethyl)pyridine
CID 172434774
4,6-Dimethyl-2-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile
CID 334424
2-Isopropoxy-6-methyl-nicotinonitrile
CID 21604363
6-Methoxy-2,3-dimethylpyridine
CID 23423791
2-Methyl-6-propoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyridine
CID 129956997
6-Ethoxy-3-iodo-2-(trifluoromethyl)pyridine
CID 130851850

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine (CID 23380589) is 2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)cc(OCC2CCCO2)n1.
What is the InChIKey of 2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is VMKFAFKKEJLGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8-5-9(12(13,14)15)6-11(16-8)18-7-10-3-2-4-17-10/h5-6,10H,2-4,7H2,1H3.
What are the key properties of 2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine?
2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 261.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23380589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).