Home Halogens methyl 2-chloro-5-cyanopyridine-3-carboxylate

methyl 2-chloro-5-cyanopyridine-3-carboxylate

CAS No.:
1256785-53-1
Catalog Number:
AG01BGQC
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
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Product Description
Catalog Number:
AG01BGQC
Chemical Name:
methyl 2-chloro-5-cyanopyridine-3-carboxylate
CAS Number:
1256785-53-1
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD18259119
IUPAC Name:
methyl 2-chloro-5-cyanopyridine-3-carboxylate
InChI:
InChI=1S/C8H5ClN2O2/c1-13-8(12)6-2-5(3-10)4-11-7(6)9/h2,4H,1H3
InChI Key:
HPKABTOGJQFRLT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C#N)cnc1Cl
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties