2-(chloromethyl)-4-nitropyridine

2-(chloromethyl)-4-nitropyridine

CAS: 312321-71-4

Formula: C6H5ClN2O2

SMILES: [O-][N+](=O)C1=CC(CCl)=NC=C1

IUPAC: 2-(chloromethyl)-4-nitropyridine

InChI: InChI=1S/C6H5ClN2O2/c7-4-5-3-6(9(10)11)1-2-8-5/h1-3H,4H2

Composition: C (41.76%), H (2.92%), Cl (20.54%), N (16.23%), O (18.54%)

Molar Mass: 172.57

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.0039551
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CSHNLCUQDKMNFC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.57
Topological Polar Surface Area	56.03
Polarizability	15.09
Ring Count	1
Rotatable Bond Count	2

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