5-bromo-N-methyl-3-nitropyridin-2-amine

5-bromo-N-methyl-3-nitropyridin-2-amine

CAS: 70232-59-6

Formula: C6H6BrN3O2

SMILES: CNC1=NC=C(Br)C=C1[N+]([O-])=O

IUPAC: 5-bromo-N-methyl-3-nitropyridin-2-amine

InChI: InChI=1S/C6H6BrN3O2/c1-8-6-5(10(11)12)2-4(7)3-9-6/h2-3H,1H3,(H,8,9)

Composition: C (31.06%), H (2.61%), Br (34.44%), N (18.11%), O (13.79%)

Molar Mass: 232.037

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	230.964339
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KOPIJZGJPUGTHU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.35
Topological Polar Surface Area	68.06
Polarizability	17.39
Ring Count	1
Rotatable Bond Count	2

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