methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate

C14H14N2O4 — CID 102703090

IUPACmethyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Oc1cc(OC)ccc1N
InChIInChI=1S/C14H14N2O4/c1-18-9-5-6-11(15)12(8-9)20-13-10(14(17)19-2)4-3-7-16-13/h3-8H,15H2,1-2H3
InChIKeyOAKYYVPQIBRMCR-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.25
Rot. Bonds4

About methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate

methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate (PubChem CID 102703090) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate
PubChem CID102703090
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Oc1cc(OC)ccc1N
InChIInChI=1S/C14H14N2O4/c1-18-9-5-6-11(15)12(8-9)20-13-10(14(17)19-2)4-3-7-16-13/h3-8H,15H2,1-2H3
InChIKeyOAKYYVPQIBRMCR-UHFFFAOYSA-N
XLogP2.25
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(5-amino-2-bromophenoxy)pyridine-3-carboxylate
CID 103011853
methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485697
methyl 2-amino-5-methoxybenzoate
CID 13052275
methyl 2-(2-amino-4-bromo-6-methylphenoxy)pyridine-3-carboxylate
CID 79843451
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873
methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497678
methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate
CID 122145206
2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
CID 54878484
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
methyl 2-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723742
methyl 2-amino-5-(2-methoxyphenoxy)benzoate
CID 61306841

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate (CID 102703090) is methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate is COC(=O)c1cccnc1Oc1cc(OC)ccc1N.
What is the InChIKey of methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate?
The InChIKey is OAKYYVPQIBRMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-18-9-5-6-11(15)12(8-9)20-13-10(14(17)19-2)4-3-7-16-13/h3-8H,15H2,1-2H3.
What are the key properties of methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate?
methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 102703090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).