2-(bromomethyl)-3-nitropyridine

2-(bromomethyl)-3-nitropyridine

CAS: 20660-73-5

Formula: C6H5BrN2O2

SMILES: [O-][N+](=O)C1=CC=CN=C1CBr

IUPAC: 2-(bromomethyl)-3-nitropyridine

InChI: InChI=1S/C6H5BrN2O2/c7-4-5-6(9(10)11)2-1-3-8-5/h1-3H,4H2

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	BGXQFAXHRDFUEX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.55
Topological Polar Surface Area	56.03
Polarizability	16.12
Ring Count	1
Rotatable Bond Count	2

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