methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate

C11H12F3NO4 — CID 172732856

IUPACmethyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)ccc1OCCOC(F)(F)F
InChIInChI=1S/C11H12F3NO4/c1-7-3-4-8(9(15-7)10(16)17-2)18-5-6-19-11(12,13)14/h3-4H,5-6H2,1-2H3
InChIKeyIAKSQPABISKRGJ-UHFFFAOYSA-N
MW279.21 g/mol
LogP2.09
Rot. Bonds5

About methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate

methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate (PubChem CID 172732856) has the molecular formula C11H12F3NO4 and a molecular weight of 279.21 g/mol. Its IUPAC name is methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate
PubChem CID172732856
Molecular FormulaC11H12F3NO4
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC Namemethyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)ccc1OCCOC(F)(F)F
InChIInChI=1S/C11H12F3NO4/c1-7-3-4-8(9(15-7)10(16)17-2)18-5-6-19-11(12,13)14/h3-4H,5-6H2,1-2H3
InChIKeyIAKSQPABISKRGJ-UHFFFAOYSA-N
XLogP2.09
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate (CID 172732856) is methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate is COC(=O)c1nc(C)ccc1OCCOC(F)(F)F.
What is the InChIKey of methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate?
The InChIKey is IAKSQPABISKRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4/c1-7-3-4-8(9(15-7)10(16)17-2)18-5-6-19-11(12,13)14/h3-4H,5-6H2,1-2H3.
What are the key properties of methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate?
methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate has a molecular weight of 279.21 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate is sourced from PubChem (CID 172732856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).