1-(4-bromopyridin-2-yl)methanamine dihydrochloride

1-(4-bromopyridin-2-yl)methanamine dihydrochloride

CAS: 1001414-95-4

Formula: C6H9BrCl2N2

SMILES: Cl.Cl.NCC1=NC=CC(Br)=C1

IUPAC: 1-(4-bromopyridin-2-yl)methanamine dihydrochloride

InChI: InChI=1S/C6H7BrN2.2ClH/c7-5-1-2-9-6(3-5)4-8;;/h1-3H,4,8H2;2*1H

Composition: C (27.72%), H (3.49%), Br (30.74%), Cl (27.27%), N (10.78%)

Molar Mass: 259.96

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.932617
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HFWIBRXCAIQEEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.48
Topological Polar Surface Area	38.91
Polarizability	15.61
Ring Count	1
Rotatable Bond Count	1

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