5-bromopyridine-2,3-diamine dihydrochloride

5-bromopyridine-2,3-diamine dihydrochloride

CAS: 1171836-31-9

Formula: C5H8BrCl2N3

SMILES: Cl.Cl.NC1=CC(Br)=CN=C1N

IUPAC: 5-bromopyridine-2,3-diamine dihydrochloride

InChI: InChI=1S/C5H6BrN3.2ClH/c6-3-1-4(7)5(8)9-2-3;;/h1-2H,7H2,(H2,8,9);2*1H

Composition: C (23.01%), H (3.09%), Br (30.62%), Cl (27.17%), N (16.10%)

Molar Mass: 260.94

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.927866
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	AJILRHFBXYEZMC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.24
Topological Polar Surface Area	64.93
Polarizability	14.64
Ring Count	1
Rotatable Bond Count	0

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