Home Nitriles 5-methylpyrimidine-2-carbonitrile

5-methylpyrimidine-2-carbonitrile

CAS No.:
38275-54-6
Catalog Number:
AG007AQS
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
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Product Description
Catalog Number:
AG007AQS
Chemical Name:
5-methylpyrimidine-2-carbonitrile
CAS Number:
38275-54-6
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
MDL Number:
MFCD16659166
IUPAC Name:
5-methylpyrimidine-2-carbonitrile
InChI:
InChI=1S/C6H5N3/c1-5-3-8-6(2-7)9-4-5/h3-4H,1H3
InChI Key:
BRBMDABLYHFXRX-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(cn1)C
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.127g/mol
Monoisotopic Mass:
119.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties