3-(6-Amino-pyridin-3-yl)-acrylic acid tert-butyl ester

HCID 53665462

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)C=Cc1ccc(N)nc1
InChIKey: AWGLBSAVOZOQDH-UHFFFAOYSA-N
Molecular formula: C12H16N2O2
Average molar mass: 220.27 g/mol

Names & identifiers

Preferred name: 3-(6-Amino-pyridin-3-yl)-acrylic acid tert-butyl ester
IUPAC: tert-butyl 3-(6-amino-3-pyridinyl)prop-2-enoate

Names & synonyms

SCHEMBL7936748AWGLBSAVOZOQDH-UHFFFAOYSA-N3-(6-Amino-pyridin-3-yl)-acrylic acid tert-butyl ester

Database identifiers

PubChem CID: 53665462

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 65.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 269

Related reactions

8 records

New reaction record

HRID 799710As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 850606As productuspto-grants-2000_01

HRID 850607As reactantuspto-grants-2000_01

HRID 1108400As productuspto-grants-2000_05

HRID 1108401As reactantuspto-grants-2000_05

HRID 1125124As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1387449As productuspto-grants-2001_07

HRID 1387450As reactantuspto-grants-2001_07

Compound notes

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