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Ethyl 5-aminopicolinate

CAT: 0926-UEA83047-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-UEA83047-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119830-47-6
MDL Number
MFCD09751106
Smiles
CCOC (=O) C1=NC=C (C=C1) N
Molecular Formula
C8H10N2O2
Molecular Weight
166.18 g/mol
Controlled
No

Chemical Information

Ethyl 5-aminopyridine-2-carboxylate
CAS Number119830-47-6
PubChem CID13816714
IUPAC Nameethyl 5-aminopyridine-2-carboxylate
Molecular FormulaC8H10N2O2
Molecular Weight166.18
XLogP0.2
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity161
SMILES
CCOC(=O)C1=NC=C(C=C1)N
InChI
InChI=1S/C8H10N2O2/c1-2-12-8(11)7-4-3-6(9)5-10-7/h3-5H,2,9H2,1H3
InChIKey
JOUCUZXFDZISMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 5-aminopyridine-2-carboxylate
CAS: 119830-47-6
CID: 13816714
Formula: C8H10N2O2
MW: 166.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.18
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass166.074227566
Monoisotopic Mass166.074227566
Topological Polar Surface Area65.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity161
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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