2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate

C15H16N2O3 — CID 81099710

IUPAC2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate
SMILESNCc1ccc(C(=O)OCCOc2ccccc2)nc1
InChIInChI=1S/C15H16N2O3/c16-10-12-6-7-14(17-11-12)15(18)20-9-8-19-13-4-2-1-3-5-13/h1-7,11H,8-10,16H2
InChIKeyAROSTKIKXUAUKO-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.78
Rot. Bonds6

About 2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate

2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate (PubChem CID 81099710) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate
PubChem CID81099710
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate
SMILESNCc1ccc(C(=O)OCCOc2ccccc2)nc1
InChIInChI=1S/C15H16N2O3/c16-10-12-6-7-14(17-11-12)15(18)20-9-8-19-13-4-2-1-3-5-13/h1-7,11H,8-10,16H2
InChIKeyAROSTKIKXUAUKO-UHFFFAOYSA-N
XLogP1.78
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropyl 5-(aminomethyl)pyridine-2-carboxylate
CID 81100505
2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate
CID 106203037
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
2-phenoxyethyl 2-aminoacetate
CID 61302270
2-aminoethyl 5-butylpyridine-2-carboxylate
CID 54300012
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
oxolan-3-yl 5-(aminomethyl)pyridine-2-carboxylate
CID 81099251
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898
2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141
2-phenoxyethyl 4-(cyanomethyl)benzoate
CID 82179689
2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 78815304

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate?
The IUPAC name of 2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate (CID 81099710) is 2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate.
What is the SMILES notation for 2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate?
The canonical SMILES for 2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate is NCc1ccc(C(=O)OCCOc2ccccc2)nc1.
What is the InChIKey of 2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate?
The InChIKey is AROSTKIKXUAUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-10-12-6-7-14(17-11-12)15(18)20-9-8-19-13-4-2-1-3-5-13/h1-7,11H,8-10,16H2.
What are the key properties of 2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate?
2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 5-(aminomethyl)pyridine-2-carboxylate is sourced from PubChem (CID 81099710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).