2-amino-5-iodo-4-methylpyridine-3-carbonitrile

2-amino-5-iodo-4-methylpyridine-3-carbonitrile

CAS: 180995-02-2

Formula: C7H6IN3

SMILES: CC1=C(C#N)C(N)=NC=C1I

IUPAC: 2-amino-5-iodo-4-methylpyridine-3-carbonitrile

InChI: InChI=1S/C7H6IN3/c1-4-5(2-9)7(10)11-3-6(4)8/h3H,1H3,(H2,10,11)

Composition: C (32.46%), H (2.33%), I (48.99%), N (16.22%)

Molar Mass: 259.05

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.96064
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZTQHKPCXMQZMFA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.04
Topological Polar Surface Area	62.7
Polarizability	19.44
Ring Count	1
Rotatable Bond Count	0

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