methyl 4-(2-aminoethoxy)pyridine-2-carboxylate

C9H12N2O3 — CID 66286147

IUPACmethyl 4-(2-aminoethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OCCN)ccn1
InChIInChI=1S/C9H12N2O3/c1-13-9(12)8-6-7(2-4-11-8)14-5-3-10/h2,4,6H,3,5,10H2,1H3
InChIKeyVHZNBOZHHJSKNJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.21
Rot. Bonds4

About methyl 4-(2-aminoethoxy)pyridine-2-carboxylate

methyl 4-(2-aminoethoxy)pyridine-2-carboxylate (PubChem CID 66286147) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 4-(2-aminoethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-aminoethoxy)pyridine-2-carboxylate
PubChem CID66286147
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 4-(2-aminoethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OCCN)ccn1
InChIInChI=1S/C9H12N2O3/c1-13-9(12)8-6-7(2-4-11-8)14-5-3-10/h2,4,6H,3,5,10H2,1H3
InChIKeyVHZNBOZHHJSKNJ-UHFFFAOYSA-N
XLogP0.21
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate
CID 106485855
methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate
CID 66286954
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
CID 69211241
ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086
methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate
CID 63121112
methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate
CID 110282305
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-(5-amino-2-methylphenoxy)pyridine-2-carboxylate
CID 66284886
2-[(2-chloro-4-pyridinyl)oxy]ethanamine
CID 84654514

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(2-aminoethoxy)pyridine-2-carboxylate (CID 66286147) is methyl 4-(2-aminoethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-aminoethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(2-aminoethoxy)pyridine-2-carboxylate is COC(=O)c1cc(OCCN)ccn1.
What is the InChIKey of methyl 4-(2-aminoethoxy)pyridine-2-carboxylate?
The InChIKey is VHZNBOZHHJSKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-13-9(12)8-6-7(2-4-11-8)14-5-3-10/h2,4,6H,3,5,10H2,1H3.
What are the key properties of methyl 4-(2-aminoethoxy)pyridine-2-carboxylate?
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 66286147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).