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

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

CAS: 1378864-45-9

Formula: C7H4ClIN2

SMILES: CC1=C(I)C=NC(Cl)=C1C#N

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

InChI: InChI=1S/C7H4ClIN2/c1-4-5(2-10)7(8)11-3-6(4)9/h3H,1H3

Composition: C (30.19%), H (1.45%), Cl (12.73%), I (45.57%), N (10.06%)

Molar Mass: 278.48

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 277.91077
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CRMWYGBBZGPZMZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.89
Topological Polar Surface Area 36.68
Polarizability 20.33
Ring Count 1
Rotatable Bond Count 0

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