ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine

C12H20F3NO — CID 156750344

IUPACethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine
SMILESCC.CC.COc1nc(C(F)(F)F)ccc1C
InChIInChI=1S/C8H8F3NO.2C2H6/c1-5-3-4-6(8(9,10)11)12-7(5)13-2;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyMUZDKVRTAYDDMT-UHFFFAOYSA-N
MW251.29 g/mol
LogP4.47
Rot. Bonds1

About ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine

ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine (PubChem CID 156750344) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine
PubChem CID156750344
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Nameethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine
SMILESCC.CC.COc1nc(C(F)(F)F)ccc1C
InChIInChI=1S/C8H8F3NO.2C2H6/c1-5-3-4-6(8(9,10)11)12-7(5)13-2;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyMUZDKVRTAYDDMT-UHFFFAOYSA-N
XLogP4.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine?
The IUPAC name of ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine (CID 156750344) is ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine is CC.CC.COc1nc(C(F)(F)F)ccc1C.
What is the InChIKey of ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine?
The InChIKey is MUZDKVRTAYDDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.2C2H6/c1-5-3-4-6(8(9,10)11)12-7(5)13-2;2*1-2/h3-4H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine?
ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine has a molecular weight of 251.29 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-3-methyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 156750344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).