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Methyl 5-ethynylpyridine-2-carboximidate

CAT: 0926-APD13662-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-APD13662-01Size:50 mg
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CAS Number
2225136-62-7
MDL Number
MFCD31665735
Smiles
COC (=N) c1ccc (cn1) C#C
Molecular Formula
C9H8N2O
Molecular Weight
160.2 g/mol
Controlled
No

Chemical Information

Methyl 5-ethynylpyridine-2-carboximidate
CAS Number2225136-62-7
PubChem CID137963920
IUPAC Namemethyl 5-ethynylpyridine-2-carboximidate
Molecular FormulaC9H8N2O
Molecular Weight160.17
XLogP1.4
Topological Polar Surface Area46
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity216
SMILES
COC(=N)C1=NC=C(C=C1)C#C
InChI
InChI=1S/C9H8N2O/c1-3-7-4-5-8(11-6-7)9(10)12-2/h1,4-6,10H,2H3
InChIKey
CPVNTUDHPSUPHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 5-ethynylpyridine-2-carboximidate
CAS: 2225136-62-7
CID: 137963920
Formula: C9H8N2O
MW: 160.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.17
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass160.063662883
Monoisotopic Mass160.063662883
Topological Polar Surface Area46 Ų
Heavy Atom Count12
Formal Charge0
Complexity216
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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Alternative Products

CatalogName
OR959632-01Methyl 5-methoxypyridine-2-carboximidate
OR52206Methyl 5-ethynylpyridine-2-carboxylate
OR8187Methyl pyrazine-2-carboximidate
OR300533Methyl thiophene-2-carboximidate hydrochloride
OR79072-01Methyl 3-ethynylpyridine-2-carboxylate
OR88620-01Methyl 4-ethynylpyridine-2-carboxylate
AQ TC 1045-01Methyl N-tert-butyladamantane-2-carboximidate
PC401060Methyl 3-chloro-5- (trifluoromethyl) pyridine-2-carboximidate hydrochloride
AQ TC 1044-01Methyl N- (1-adamantyl) adamantane-2-carboximidate
454632-01Methyl 1-[ (2-Fluorophenyl) methyl]pyrazolo[3,4-b]pyridine-3-carboximidate

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