5-bromo-N,N-dimethyl-3-nitropyridin-2-amine

5-bromo-N,N-dimethyl-3-nitropyridin-2-amine

CAS: 1040682-46-9

Formula: C7H8BrN3O2

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

IUPAC: 5-bromo-N,N-dimethyl-3-nitropyridin-2-amine

InChI: InChI=1S/C7H8BrN3O2/c1-10(2)7-6(11(12)13)3-5(8)4-9-7/h3-4H,1-2H3

Composition: C (34.17%), H (3.28%), Br (32.47%), N (17.08%), O (13.00%)

Molar Mass: 246.064

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.97999
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SZNVATVPNHSUOD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.59
Topological Polar Surface Area	59.27
Polarizability	19.17
Ring Count	1
Rotatable Bond Count	2

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