5-iodo-6-methoxy-3-nitropyridin-2-amine

5-iodo-6-methoxy-3-nitropyridin-2-amine

CAS: 868539-54-2

Formula: C6H6IN3O3

SMILES: COC1=C(I)C=C(C(N)=N1)[N+]([O-])=O

IUPAC: 5-iodo-6-methoxy-3-nitropyridin-2-amine

InChI: InChI=1S/C6H6IN3O3/c1-13-6-3(7)2-4(10(11)12)5(8)9-6/h2H,1H3,(H2,8,9)

Composition: C (24.43%), H (2.05%), I (43.01%), N (14.24%), O (16.27%)

Molar Mass: 295.036

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	294.94539
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	XDIIICFSDWNEDS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.37
Topological Polar Surface Area	91.28
Polarizability	20.57
Ring Count	1
Rotatable Bond Count	2

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