2-bromo-5-methyl-3-nitropyridine

2-bromo-5-methyl-3-nitropyridine

CAS: 23056-46-4

Formula: C6H5BrN2O2

SMILES: CC1=CN=C(Br)C(=C1)[N+]([O-])=O

IUPAC: 2-bromo-5-methyl-3-nitropyridine

InChI: InChI=1S/C6H5BrN2O2/c1-4-2-5(9(10)11)6(7)8-3-4/h2-3H,1H3

Composition: C (33.21%), H (2.32%), Br (36.82%), N (12.91%), O (14.74%)

Molar Mass: 217.022

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.95344
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AESPBTFGZRRYRJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.73
Topological Polar Surface Area	56.03
Polarizability	16.19
Ring Count	1
Rotatable Bond Count	1

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