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3-bromo-6-chloro-[2,2'-bipyridine]-5-carbonitrile

3-bromo-6-chloro-[2,2'-bipyridine]-5-carbonitrile

CAS: 1135283-47-4

Formula: C11H5BrClN3

SMILES: ClC1=NC(=C(Br)C=C1C#N)C1=NC=CC=C1

IUPAC: 3-bromo-6-chloro-[2,2'-bipyridine]-5-carbonitrile

InChI: InChI=1S/C11H5BrClN3/c12-8-5-7(6-14)11(13)16-10(8)9-3-1-2-4-15-9/h1-5H

Composition: C (44.86%), H (1.71%), Br (27.13%), Cl (12.04%), N (14.27%)

Molar Mass: 294.54

Atom Count: 21

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 292.935538
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BPTAXXKUOYFOJI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.35
Topological Polar Surface Area 49.57
Polarizability 26.05
Ring Count 2
Rotatable Bond Count 1

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