5-(bromomethyl)-6'-[5-(bromomethyl)pyridin-2-yl]-2,2'-bipyridine

5-(bromomethyl)-6'-[5-(bromomethyl)pyridin-2-yl]-2,2'-bipyridine

CAS: 183187-82-8

Formula: C17H13Br2N3

SMILES: BrCC1=CC=C(N=C1)C1=CC=CC(=N1)C1=CC=C(CBr)C=N1

IUPAC: 5-(bromomethyl)-6'-[5-(bromomethyl)pyridin-2-yl]-2,2'-bipyridine

InChI: InChI=1S/C17H13Br2N3/c18-8-12-4-6-14(20-10-12)16-2-1-3-17(22-16)15-7-5-13(9-19)11-21-15/h1-7,10-11H,8-9H2

Composition: C (48.72%), H (3.13%), Br (38.13%), N (10.03%)

Molar Mass: 419.12

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	416.947623
Formal Charge	0
FSP3	0.12
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VQMPPZZZYIGCCW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.07
Topological Polar Surface Area	38.67
Polarizability	38.42
Ring Count	3
Rotatable Bond Count	4

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