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

C11H13F3N2O4 — CID 134660436

IUPACethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(CN)c(OC(F)(F)F)nc1OC
InChIInChI=1S/C11H13F3N2O4/c1-3-19-10(17)7-4-6(5-15)8(16-9(7)18-2)20-11(12,13)14/h4H,3,5,15H2,1-2H3
InChIKeyULNIFXRSWHKCPX-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.62
Rot. Bonds5

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

ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134660436) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134660436
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Nameethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(CN)c(OC(F)(F)F)nc1OC
InChIInChI=1S/C11H13F3N2O4/c1-3-19-10(17)7-4-6(5-15)8(16-9(7)18-2)20-11(12,13)14/h4H,3,5,15H2,1-2H3
InChIKeyULNIFXRSWHKCPX-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-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134668367
5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134678140
ethyl 2-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679137
methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134683021
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668134
ethyl 4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660433
ethyl 5-(bromomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134682872
ethyl 5-(bromomethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134676575
methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133085573
ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134681879
ethyl 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677568

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate (CID 134660436) is ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1cc(CN)c(OC(F)(F)F)nc1OC.
What is the InChIKey of ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is ULNIFXRSWHKCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c1-3-19-10(17)7-4-6(5-15)8(16-9(7)18-2)20-11(12,13)14/h4H,3,5,15H2,1-2H3.
What are the key properties of ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 5-(aminomethyl)-2-methoxy-6-(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 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134660436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).