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

C11H13F3N2O4 — CID 134668134

IUPACethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)c(OC)nc1CN
InChIInChI=1S/C11H13F3N2O4/c1-3-19-10(17)6-4-8(20-11(12,13)14)9(18-2)16-7(6)5-15/h4H,3,5,15H2,1-2H3
InChIKeyNYUXVMASTOXAJS-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.62
Rot. Bonds5

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

ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134668134) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134668134
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Nameethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)c(OC)nc1CN
InChIInChI=1S/C11H13F3N2O4/c1-3-19-10(17)6-4-8(20-11(12,13)14)9(18-2)16-7(6)5-15/h4H,3,5,15H2,1-2H3
InChIKeyNYUXVMASTOXAJS-UHFFFAOYSA-N
XLogP1.62
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133085466
ethyl 2-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679137
ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660436
ethyl 2-(bromomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665879
ethyl 2-(aminomethyl)-6-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664905
ethyl 2-(bromomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668756
methyl 3-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668833
ethyl 2-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134668367
ethyl 6-(bromomethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134675576
2-[6-methoxy-3-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134667952
ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134671459
ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680125

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate (CID 134668134) is ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1cc(OC(F)(F)F)c(OC)nc1CN.
What is the InChIKey of ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is NYUXVMASTOXAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c1-3-19-10(17)6-4-8(20-11(12,13)14)9(18-2)16-7(6)5-15/h4H,3,5,15H2,1-2H3.
What are the key properties of ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 294.23 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134668134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).