Home Nitriles 2-Pyridinecarbonitrile,5-isocyanato-(9CI)

2-Pyridinecarbonitrile,5-isocyanato-(9CI)

CAS No.:
125117-98-8
Catalog Number:
AG00A6QS
Molecular Formula:
C7H3N3O
Molecular Weight:
145.1182
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Product Description
Catalog Number:
AG00A6QS
Chemical Name:
2-Pyridinecarbonitrile,5-isocyanato-(9CI)
CAS Number:
125117-98-8
Molecular Formula:
C7H3N3O
Molecular Weight:
145.1182
MDL Number:
MFCD18816437
IUPAC Name:
5-isocyanatopyridine-2-carbonitrile
InChI:
InChI=1S/C7H3N3O/c8-3-6-1-2-7(4-9-6)10-5-11/h1-2,4H
InChI Key:
IPFBPXVGHDEQNF-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(nc1)C#N
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.028g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.121g/mol
Monoisotopic Mass:
145.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties