Name: Name:2-bromo-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3,4-dicarbonitrile
Brand: Angene
SKU: AG01BH65
Rating: 90 (10 reviews)

2-bromo-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3,4-dicarbonitrile

CAS No.:

1020244-24-9

Catalog Number:

AG01BH65

Molecular Formula:

C13H12BrN3

Molecular Weight:

290.1585

Catalog Number:

AG01BH65

Chemical Name:

2-bromo-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3,4-dicarbonitrile

CAS Number:

1020244-24-9

Molecular Formula:

C13H12BrN3

Molecular Weight:

290.1585

MDL Number:

MFCD12033780

IUPAC Name:

2-bromo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile

InChI:

InChI=1S/C13H12BrN3/c14-13-11(8-16)10(7-15)9-5-3-1-2-4-6-12(9)17-13/h1-6H2

InChI Key:

XYTYYWPOJMNJOX-UHFFFAOYSA-N

SMILES:

N#Cc1c2CCCCCCc2nc(c1C#N)Br

Complexity:

363

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

289.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.164g/mol

Monoisotopic Mass:

289.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6