1-aminoethyl pyridine-2-carboxylate

C8H10N2O2 — CID 141264689

IUPAC1-aminoethyl pyridine-2-carboxylate
SMILESCC(N)OC(=O)c1ccccn1
InChIInChI=1S/C8H10N2O2/c1-6(9)12-8(11)7-4-2-3-5-10-7/h2-6H,9H2,1H3
InChIKeyBIWRJGDWTKEEBX-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.54
Rot. Bonds2

About 1-aminoethyl pyridine-2-carboxylate

1-aminoethyl pyridine-2-carboxylate (PubChem CID 141264689) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-aminoethyl pyridine-2-carboxylate.

Molecular Properties

Compound Name1-aminoethyl pyridine-2-carboxylate
PubChem CID141264689
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-aminoethyl pyridine-2-carboxylate
SMILESCC(N)OC(=O)c1ccccn1
InChIInChI=1S/C8H10N2O2/c1-6(9)12-8(11)7-4-2-3-5-10-7/h2-6H,9H2,1H3
InChIKeyBIWRJGDWTKEEBX-UHFFFAOYSA-N
XLogP0.54
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-aminobutyl pyridine-2-carboxylate
CID 174954272
(2-methyl-1-phenylpropyl) pyridine-2-carboxylate
CID 100987020
ethyl pyridine-2-carboxylate
CID 17307
4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate
CID 100987019
2-methylpentyl pyridine-2-carboxylate
CID 150671770
(4-amino-2,3-dimethyl-4-oxobutyl) pyridine-2-carboxylate
CID 67908094
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477255
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 8860466
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 37289545
[(E,2R)-4-(4-methylphenyl)but-3-en-2-yl] pyridine-2-carboxylate
CID 101499826
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477385
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] pyridine-2-carboxylate
CID 8860436

Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl pyridine-2-carboxylate?
The IUPAC name of 1-aminoethyl pyridine-2-carboxylate (CID 141264689) is 1-aminoethyl pyridine-2-carboxylate.
What is the SMILES notation for 1-aminoethyl pyridine-2-carboxylate?
The canonical SMILES for 1-aminoethyl pyridine-2-carboxylate is CC(N)OC(=O)c1ccccn1.
What is the InChIKey of 1-aminoethyl pyridine-2-carboxylate?
The InChIKey is BIWRJGDWTKEEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(9)12-8(11)7-4-2-3-5-10-7/h2-6H,9H2,1H3.
What are the key properties of 1-aminoethyl pyridine-2-carboxylate?
1-aminoethyl pyridine-2-carboxylate has a molecular weight of 166.18 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl pyridine-2-carboxylate is sourced from PubChem (CID 141264689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).