Home Nitriles 6-amino-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

6-amino-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

CAS No.:
1538249-53-4
Catalog Number:
AG01C8ZB
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
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Product Description
Catalog Number:
AG01C8ZB
Chemical Name:
6-amino-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
CAS Number:
1538249-53-4
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD31443782
IUPAC Name:
6-amino-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
InChI:
InChI=1S/C9H9N3O/c10-3-8-7-1-2-13-5-6(7)4-12-9(8)11/h4H,1-2,5H2,(H2,11,12)
InChI Key:
SXVBWEQACQSFIK-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)ncc2c1CCOC2
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties