Home Nitriles 3-Pyridinecarbonitrile, 5-ethynyl- (9CI)

3-Pyridinecarbonitrile, 5-ethynyl- (9CI)

CAS No.:
152803-05-9
Catalog Number:
AG00AMK8
Molecular Formula:
C8H4N2
Molecular Weight:
128.1308
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Product Description
Catalog Number:
AG00AMK8
Chemical Name:
3-Pyridinecarbonitrile, 5-ethynyl- (9CI)
CAS Number:
152803-05-9
Molecular Formula:
C8H4N2
Molecular Weight:
128.1308
MDL Number:
MFCD11109673
IUPAC Name:
5-ethynylpyridine-3-carbonitrile
InChI:
InChI=1S/C8H4N2/c1-2-7-3-8(4-9)6-10-5-7/h1,3,5-6H
InChI Key:
BHGKLLLDELXBOR-UHFFFAOYSA-N
SMILES:
C#Cc1cncc(c1)C#N
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.037g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.134g/mol
Monoisotopic Mass:
128.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties