Home Carboxys methyl 2-cyano-5-fluoropyridine-4-carboxylate

methyl 2-cyano-5-fluoropyridine-4-carboxylate

CAS No.:
1807310-34-4
Catalog Number:
AG01C46Z
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
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Product Description
Catalog Number:
AG01C46Z
Chemical Name:
methyl 2-cyano-5-fluoropyridine-4-carboxylate
CAS Number:
1807310-34-4
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD22371036
IUPAC Name:
methyl 2-cyano-5-fluoropyridine-4-carboxylate
InChI:
InChI=1S/C8H5FN2O2/c1-13-8(12)6-2-5(3-10)11-4-7(6)9/h2,4H,1H3
InChI Key:
OHUVYBGGVOYDJE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C#N)ncc1F
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties