Home Halogens ethyl 6-chloro-2-[(prop-2-yn-1-yl)amino]pyridine-3-carboxylate

ethyl 6-chloro-2-[(prop-2-yn-1-yl)amino]pyridine-3-carboxylate

CAS No.:
2138560-61-7
Catalog Number:
AG01EMQN
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
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Product Description
Catalog Number:
AG01EMQN
Chemical Name:
ethyl 6-chloro-2-[(prop-2-yn-1-yl)amino]pyridine-3-carboxylate
CAS Number:
2138560-61-7
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
MDL Number:
MFCD31558997
IUPAC Name:
ethyl 6-chloro-2-(prop-2-ynylamino)pyridine-3-carboxylate
InChI:
InChI=1S/C11H11ClN2O2/c1-3-7-13-10-8(11(15)16-4-2)5-6-9(12)14-10/h1,5-6H,4,7H2,2H3,(H,13,14)
InChI Key:
GBHWTSVGBVZNRE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1NCC#C)Cl
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.671g/mol
Monoisotopic Mass:
238.051g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties