2-iodo-4-methyl-5-nitropyridine

2-iodo-4-methyl-5-nitropyridine

CAS: 633328-46-8

Formula: C6H5IN2O2

SMILES: CC1=CC(I)=NC=C1[N+]([O-])=O

IUPAC: 2-iodo-4-methyl-5-nitropyridine

InChI: InChI=1S/C6H5IN2O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3

Composition: C (27.30%), H (1.91%), I (48.07%), N (10.61%), O (12.12%)

Molar Mass: 264.022

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	263.93957
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BABJMGXGLXETLH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.33
Topological Polar Surface Area	56.03
Polarizability	18.6
Ring Count	1
Rotatable Bond Count	1

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