ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate

C11H13F3N2O3 — CID 133085466

IUPACethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)c(C)nc1CN
InChIInChI=1S/C11H13F3N2O3/c1-3-18-10(17)7-4-9(19-11(12,13)14)6(2)16-8(7)5-15/h4H,3,5,15H2,1-2H3
InChIKeyDGGGAWLPOKUSGN-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.92
Rot. Bonds4

About ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate

ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 133085466) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID133085466
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Nameethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)c(C)nc1CN
InChIInChI=1S/C11H13F3N2O3/c1-3-18-10(17)7-4-9(19-11(12,13)14)6(2)16-8(7)5-15/h4H,3,5,15H2,1-2H3
InChIKeyDGGGAWLPOKUSGN-UHFFFAOYSA-N
XLogP1.92
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668134
ethyl 2-[2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085618
ethyl 2-(bromomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665879
ethyl 2-(bromomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668756
methyl 2-[2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085558
ethyl 2-(aminomethyl)-6-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664905
ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134671459
ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680125
ethyl 2-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679137
ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667290
ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 133098479
ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665740

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate (CID 133085466) is ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1cc(OC(F)(F)F)c(C)nc1CN.
What is the InChIKey of ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is DGGGAWLPOKUSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-3-18-10(17)7-4-9(19-11(12,13)14)6(2)16-8(7)5-15/h4H,3,5,15H2,1-2H3.
What are the key properties of ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 278.23 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 133085466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).