methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate

C10H10F3NO3 — CID 67510190

IUPACmethyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCC(F)(F)F)nc1C
InChIInChI=1S/C10H10F3NO3/c1-6-7(9(15)16-2)3-4-8(14-6)17-5-10(11,12)13/h3-4H,5H2,1-2H3
InChIKeyCENBNQNQEWANSH-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.12
Rot. Bonds3

About methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate

methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate (PubChem CID 67510190) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
PubChem CID67510190
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCC(F)(F)F)nc1C
InChIInChI=1S/C10H10F3NO3/c1-6-7(9(15)16-2)3-4-8(14-6)17-5-10(11,12)13/h3-4H,5H2,1-2H3
InChIKeyCENBNQNQEWANSH-UHFFFAOYSA-N
XLogP2.12
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate (CID 67510190) is methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate is COC(=O)c1ccc(OCC(F)(F)F)nc1C.
What is the InChIKey of methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The InChIKey is CENBNQNQEWANSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-6-7(9(15)16-2)3-4-8(14-6)17-5-10(11,12)13/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate has a molecular weight of 249.19 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 67510190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).