ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate

C15H16N2O3 — CID 106485599

IUPACethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(CN)cc2)nc1
InChIInChI=1S/C15H16N2O3/c1-2-19-15(18)12-5-8-14(17-10-12)20-13-6-3-11(9-16)4-7-13/h3-8,10H,2,9,16H2,1H3
InChIKeyJRABRBQZEDKRFK-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.51
Rot. Bonds5

About ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate

ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate (PubChem CID 106485599) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
PubChem CID106485599
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(CN)cc2)nc1
InChIInChI=1S/C15H16N2O3/c1-2-19-15(18)12-5-8-14(17-10-12)20-13-6-3-11(9-16)4-7-13/h3-8,10H,2,9,16H2,1H3
InChIKeyJRABRBQZEDKRFK-UHFFFAOYSA-N
XLogP2.51
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
CID 106486678
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 4-[4-(aminomethyl)phenoxy]benzoate
CID 66585359
ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
CID 143813025
ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
ethyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 161046198
ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate
CID 31535631
ethyl 6-[4-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]phenoxy]pyridine-3-carboxylate
CID 118344926
ethyl 6-(2-amino-3-hydroxyphenoxy)pyridine-3-carboxylate
CID 114764586

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate (CID 106485599) is ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate is CCOC(=O)c1ccc(Oc2ccc(CN)cc2)nc1.
What is the InChIKey of ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate?
The InChIKey is JRABRBQZEDKRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-19-15(18)12-5-8-14(17-10-12)20-13-6-3-11(9-16)4-7-13/h3-8,10H,2,9,16H2,1H3.
What are the key properties of ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate?
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 106485599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).