Name: Name:2-oxo-1H,2H,5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile
Brand: Angene
SKU: AG01AAY2
Rating: 90 (10 reviews)

2-oxo-1H,2H,5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile

CAS No.:

27152-09-6

Catalog Number:

AG01AAY2

Molecular Formula:

C9H8N2O2

Molecular Weight:

176.1720

Catalog Number:

AG01AAY2

Chemical Name:

2-oxo-1H,2H,5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile

CAS Number:

27152-09-6

Molecular Formula:

C9H8N2O2

Molecular Weight:

176.1720

MDL Number:

MFCD16070469

IUPAC Name:

2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile

InChI:

InChI=1S/C9H8N2O2/c10-4-6-3-7-5-13-2-1-8(7)11-9(6)12/h3H,1-2,5H2,(H,11,12)

InChI Key:

ANUXNMLPHPOUMD-UHFFFAOYSA-N

SMILES:

N#Cc1cc2COCCc2[nH]c1=O

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.175g/mol

Monoisotopic Mass:

176.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6