methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate

C14H14N2O3 — CID 106485855

IUPACmethyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Oc2cccc(CN)c2)ccn1
InChIInChI=1S/C14H14N2O3/c1-18-14(17)13-8-12(5-6-16-13)19-11-4-2-3-10(7-11)9-15/h2-8H,9,15H2,1H3
InChIKeyAHYZTVQJUAFPMV-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.12
Rot. Bonds4

About methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate

methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate (PubChem CID 106485855) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate
PubChem CID106485855
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Oc2cccc(CN)c2)ccn1
InChIInChI=1S/C14H14N2O3/c1-18-14(17)13-8-12(5-6-16-13)19-11-4-2-3-10(7-11)9-15/h2-8H,9,15H2,1H3
InChIKeyAHYZTVQJUAFPMV-UHFFFAOYSA-N
XLogP2.12
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-ethylphenoxy)pyridine-2-carboxylic acid
CID 43326028
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate
CID 110282305
N,N-dimethyl-4-[3-(methylaminomethyl)phenoxy]pyridine-2-carboxamide
CID 106486623
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
methyl 4-(5-amino-2-methylphenoxy)pyridine-2-carboxylate
CID 66284886
methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate
CID 81332451
4-(3-methoxyphenoxy)pyridine-2-carbothioamide
CID 62925939
[3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 16774759
methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate
CID 66287690

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate (CID 106485855) is methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate is COC(=O)c1cc(Oc2cccc(CN)c2)ccn1.
What is the InChIKey of methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate?
The InChIKey is AHYZTVQJUAFPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-14(17)13-8-12(5-6-16-13)19-11-4-2-3-10(7-11)9-15/h2-8H,9,15H2,1H3.
What are the key properties of methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate?
methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate is sourced from PubChem (CID 106485855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).