2-methanesulfonyl-4,6-dimethylpyridine-3-carbonitrile

2-methanesulfonyl-4,6-dimethylpyridine-3-carbonitrile

Formula: C9H10N2O2S

SMILES: CC1=NC(=C(C#N)C(C)=C1)S(C)(=O)=O

IUPAC: 2-methanesulfonyl-4,6-dimethylpyridine-3-carbonitrile

InChI: InChI=1S/C9H10N2O2S/c1-6-4-7(2)11-9(8(6)5-10)14(3,12)13/h4H,1-3H3

Composition: C (51.41%), H (4.79%), N (13.32%), O (15.22%), S (15.25%)

Molar Mass: 210.25

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.046298744
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey FSZHPIKMYHHGLP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.57
Topological Polar Surface Area 70.82
Polarizability 20.82
Ring Count 1
Rotatable Bond Count 1

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